data_2g7j_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 2g7j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.431 ' HB3' ' O ' ' A' ' 45' ' ' GLY . 74.7 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.595 0.236 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ3' ' CG ' ' A' ' 73' ' ' ASP . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.545 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.959 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.959 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.578 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HG3' HD11 ' A' ' 92' ' ' ILE . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.564 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.861 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.527 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.861 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.564 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' ' HH ' ' A' ' 29' ' ' TYR . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.551 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.574 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HH ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.493 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.832 ' HD3' HD22 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.638 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.832 HD22 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.638 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 121.22 0.533 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.689 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.929 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.929 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' PRO . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.425 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.944 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.426 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.58 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.499 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 81' ' ' TYR . 43.5 tt0 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.944 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.446 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' ' HH ' ' A' ' 29' ' ' TYR . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.476 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG13 HG23 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.725 ' HH ' ' HB2' ' A' ' 9' ' ' ALA . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' THR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 HD22 ' HG2' ' A' ' 58' ' ' ARG . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 55' ' ' LEU . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.618 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.529 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.484 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG11 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 HG11 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 53' ' ' PRO . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 65.2 m-70 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.514 ' HB3' ' ND1' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.467 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 . . . . . 0 CA--C 1.516 -0.35 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.514 ' ND1' ' HB3' ' A' ' 76' ' ' GLN . 7.3 m170 -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.451 ' O ' HD11 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.408 ' HB2' HD11 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.502 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.544 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.6 t-20 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HB2' HD22 ' A' ' 39' ' ' ASN . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.941 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.941 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.539 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.629 ' HD2' ' HE2' ' A' ' 52' ' ' HIS . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.539 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.438 0.637 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.531 ' HB3' ' C ' ' A' ' 75' ' ' TYR . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.741 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.461 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.431 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' O ' HG22 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 1.088 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' CYS . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.599 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 76' ' ' GLN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.623 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.402 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 1.088 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD11 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.596 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.596 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 . . . . . 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.772 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.629 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.537 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.664 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HD1' ' A' ' 89' ' ' HIS . 4.3 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.616 ' CD2' ' HD1' ' A' ' 89' ' ' HIS . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.658 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HD1' ' HA ' ' A' ' 76' ' ' GLN . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.631 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.807 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.953 0.406 . . . . 0.0 111.591 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.8 m120 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.81 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.611 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.557 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.81 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.807 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.437 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.521 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' ARG . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD13 HD13 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.52 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.6 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.743 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.743 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.464 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.543 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.616 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 HG21 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.661 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.661 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.477 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.579 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 76' ' ' GLN . 2.2 m120 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.601 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.579 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.424 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.409 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.494 HD12 HD21 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.656 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 2.8 t-20 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.584 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.601 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.52 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.761 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.761 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.544 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.645 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 90' ' ' TYR . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 74' ' ' HIS . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 89.2 m-70 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.541 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.379 0.609 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.405 ' HB3' HG21 ' A' ' 71' ' ' THR . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.517 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.645 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.656 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.483 HH22 ' ND2' ' A' ' 107' ' ' ASN . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.483 ' ND2' HH22 ' A' ' 104' ' ' ARG . 13.3 t-20 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.541 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 HG22 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.47 ' HB2' ' ND2' ' A' ' 77' ' ' ASN . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.926 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.926 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.598 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.684 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.666 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.5 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 35' ' ' TYR . 8.2 t30 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.527 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.649 HD12 ' NE2' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.598 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.429 ' HB3' HG23 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' HD12 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.924 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.612 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.612 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' HD12 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HG2' HH11 ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ALA . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.771 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.583 HD13 ' HH ' ' A' ' 105' ' ' TYR . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.52 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.322 0.582 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.771 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' HH ' HD13 ' A' ' 51' ' ' ILE . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.523 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' CG ' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 41' ' ' GLU . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.74 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 88' ' ' GLU . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.645 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.638 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.464 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD21 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.566 ' N ' HD21 ' A' ' 80' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.645 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' HB3' HG21 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.643 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.765 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.799 0.333 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.506 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.511 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.53 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.808 HG11 HG23 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.496 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 1.006 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 1.006 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 53' ' ' PRO . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.649 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 77' ' ' ASN . 1.9 t-20 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.761 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.649 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HB2' HG23 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.425 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.531 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 25' ' ' LYS . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' HD1' ' A' ' 74' ' ' HIS . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.558 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.572 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.599 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.554 ' HD1' ' HB2' ' A' ' 25' ' ' LYS . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.448 ' ND2' ' HE2' ' A' ' 37' ' ' TYR . 12.4 m120 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.487 ' HB3' HG21 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.505 ' OG ' HG23 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' HD13 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.505 HG23 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.518 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.655 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' C ' ' HG1' ' A' ' 18' ' ' THR . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' HG1' ' C ' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.631 HG23 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 53' ' ' PRO . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.631 ' CE1' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.451 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.533 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HA ' HD12 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.59 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 12' ' ' LEU . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.577 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.544 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.871 0.367 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG13 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 ' HG1' ' C ' ' A' ' 38' ' ' VAL . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.689 HG13 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.544 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' CG ' ' HZ2' ' A' ' 56' ' ' LYS . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.544 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 . . . . . 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.583 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.426 ' N ' HD11 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.525 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.484 ' HH ' HD13 ' A' ' 51' ' ' ILE . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.552 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.551 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.961 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.961 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.441 ' HD3' HD13 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.695 HD22 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.546 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.419 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HA ' HG12 ' A' ' 50' ' ' ILE . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.509 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.509 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD1' ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' SD ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.437 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 74.7 m-85 -71.52 152.43 43.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.436 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ3' ' CG ' ' A' ' 73' ' ' ASP . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.545 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.959 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.959 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.578 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HG3' HD11 ' A' ' 92' ' ' ILE . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.564 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.861 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' ' HZ3' ' A' ' 25' ' ' LYS . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.527 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.636 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.76 105.69 0.58 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -85.1 -19.35 32.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.425 -177.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.38 55.52 4.84 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.161 -176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.02 169.91 42.15 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.84 -59.18 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.178 0.513 . . . . 0.0 109.776 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 p -91.45 125.98 36.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.308 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.0 m80 -91.52 107.14 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.362 0.601 . . . . 0.0 109.41 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.93 145.08 47.07 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.001 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.861 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.564 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.97 -8.85 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.33 -80.77 1.32 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.788 -1.196 . . . . 0.0 114.517 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 CA--C 1.507 -0.675 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -163.319 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 -64.63 155.37 33.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.266 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' ' HH ' ' A' ' 29' ' ' TYR . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.551 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.574 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' HH ' ' HB2' ' A' ' 9' ' ' ALA . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.493 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.832 ' HD3' HD22 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.638 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.832 HD22 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 -66.83 131.18 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 85.15 5.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.16 47.25 1.12 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.54 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.97 -106.6 2.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.67 -57.28 4.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 109.55 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.7 p -64.47 118.11 8.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.236 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 61.4 m170 -115.44 95.53 5.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 -88.77 132.31 34.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.638 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.653 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.632 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.69 -14.99 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.57 58.87 4.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.847 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.506 -0.738 0 CA-C-O 123.25 1.5 . . . . 0.0 108.677 172.217 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.021 0.438 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 67.27 165.83 0.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.44 -170.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.689 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.689 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG11 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 HG23 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' HA3' HG11 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HB2' HD22 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.929 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.929 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' PRO . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.425 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.944 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.426 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.58 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 87' ' ' HIS . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 -120.77 124.19 44.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.884 ' H ' ' HA ' ' A' ' 86' ' ' THR . 1.9 tm? -75.47 152.05 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.629 ' N ' HD13 ' A' ' 82' ' ' LEU . . . -68.27 62.69 0.4 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 119.765 -1.207 . . . . 0.0 111.146 167.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.81 -78.12 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -79.29 -148.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 170.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.884 ' HA ' ' H ' ' A' ' 82' ' ' LEU . 4.3 t -135.69 92.6 2.84 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.944 -0.473 . . . . 0.0 111.54 174.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.679 ' NE2' ' HG ' ' A' ' 82' ' ' LEU . 29.1 p80 -170.53 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.766 ' HB2' HD22 ' A' ' 82' ' ' LEU . 43.5 tt0 -96.21 132.46 41.63 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.768 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.944 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.446 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.5 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -85.96 -53.14 5.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.89 51.54 39.48 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.827 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -176.282 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 -130.12 -161.71 1.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB2' ' HH ' ' A' ' 29' ' ' TYR . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.521 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG13 HG23 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.725 ' HH ' ' HB2' ' A' ' 9' ' ' ALA . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' THR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 HD22 ' HG2' ' A' ' 58' ' ' ARG . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 55' ' ' LEU . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.553 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.618 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.529 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 -84.49 113.39 21.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.14 98.08 8.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.815 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.79 -127.34 5.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.95 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.66 -88.24 2.0 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.092 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.97 -69.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 t -86.04 124.88 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.378 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CB ' HD22 ' A' ' 80' ' ' LEU . 5.4 m170 -111.73 133.9 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -126.59 155.43 42.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 -172.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.3 -23.29 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.91 50.3 0.78 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.217 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 . . . . . 0 N--CA 1.422 -1.866 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.492 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 -134.79 -179.96 5.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 174.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.484 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG11 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.528 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 HG11 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 53' ' ' PRO . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.536 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 65.2 m-70 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.514 ' HB3' ' ND1' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.467 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.668 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 2.7 t80 -60.65 146.47 45.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.74 -99.02 0.43 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.7 -141.2 28.48 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.152 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.6 -0.21 34.62 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.86 -22.99 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.122 -0.539 . . . . 0.0 111.518 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 p 69.84 80.33 0.18 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.697 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 95.0 m-70 62.81 -164.38 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.668 -1.151 . . . . 0.0 113.054 171.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 95.44 112.91 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.855 1.662 . . . . 0.0 107.862 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.514 ' ND1' ' HB3' ' A' ' 76' ' ' GLN . 7.3 m170 -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.451 ' O ' HD11 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.408 ' HB2' HD11 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -104.03 -0.5 28.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.93 56.22 0.48 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 122.441 1.115 . . . . 0.0 111.052 -172.038 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.544 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HH11 ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.6 t-20 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' HB2' HD22 ' A' ' 39' ' ' ASN . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.941 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.941 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.502 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.539 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.629 ' HD2' ' HE2' ' A' ' 52' ' ' HIS . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.602 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 60.1 t80 -66.58 104.49 1.29 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -81.5 83.63 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.285 0.564 . . . . 0.0 110.096 -176.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.56 161.1 12.99 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.95 -27.67 72.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -95.62 -61.98 1.37 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.503 0.668 . . . . 0.0 110.594 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.08 51.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.309 -169.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.602 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 9.4 m-70 -99.8 87.38 3.52 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.539 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 -99.73 144.81 28.36 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.319 -169.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.531 ' HB3' ' C ' ' A' ' 75' ' ' TYR . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.741 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.477 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -101.01 1.68 39.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.477 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -87.18 -6.01 79.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.408 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 123.242 1.496 . . . . 0.0 109.592 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' O ' ' HA ' ' A' ' 97' ' ' SER . 92.4 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.56 -171.9 2.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.431 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.512 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' O ' HG22 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 1.088 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' CYS . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.599 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.623 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 76' ' ' GLN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.623 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 -54.8 133.87 47.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.5 mt -71.95 -16.07 62.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.486 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.6 111.6 4.31 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.03 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.96 150.8 10.88 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.376 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.07 -52.45 65.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.301 0.572 . . . . 0.0 111.286 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -79.18 -11.75 59.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.177 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 65.94 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.069 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 -114.05 123.71 50.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 1.088 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD11 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 1' ' ' MET . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.596 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.596 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -93.68 -40.4 10.27 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.76 63.77 3.52 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.106 -0.568 . . . . 0.0 113.244 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -122.02 -177.33 3.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.368 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.772 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.629 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' O ' HG21 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.537 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.471 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.664 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HD1' ' A' ' 89' ' ' HIS . 4.3 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.616 ' CD2' ' HD1' ' A' ' 89' ' ' HIS . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.658 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 -78.34 144.42 36.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -110.86 87.7 2.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.93 13.39 63.66 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.754 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 85' ' ' GLU . . . 87.15 114.76 1.01 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 84' ' ' GLY . 34.7 tt0 69.08 -61.99 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.466 0.706 . . . . 0.0 110.941 -174.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.7 t -65.91 138.9 58.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.413 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.39 78.97 1.86 Allowed 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.736 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 -76.31 137.43 39.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HD1' ' HA ' ' A' ' 76' ' ' GLN . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.631 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.607 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -117.4 11.73 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -74.84 3.36 44.63 Favored Glycine 0 N--CA 1.46 0.252 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.787 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 CA--C 1.509 -0.627 0 CA-C-O 122.34 1.067 . . . . 0.0 109.906 175.61 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 1' ' ' MET . 44.3 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.536 0.684 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.807 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 56.82 -169.44 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.591 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.8 m120 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.81 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.611 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.557 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -72.33 112.68 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.47 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.202 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.82 -84.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.35 -127.37 2.86 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.97 -51.71 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p -77.69 138.88 39.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.101 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.426 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 16.9 m170 -113.91 160.66 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 110.868 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -139.83 130.93 26.39 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.81 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.807 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.58 HD12 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.75 4.19 8.84 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -65.52 -47.27 79.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.151 -0.547 . . . . 0.0 114.115 -170.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -174.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.499 ' O ' ' HA ' ' A' ' 97' ' ' SER . 54.3 mtt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 -134.72 -174.71 3.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.099 169.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' O ' HG21 ' A' ' 11' ' ' VAL . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.521 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG11 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' ARG . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD13 HD13 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HG2' HD11 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.542 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.52 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.6 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.743 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.743 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.61 119.99 16.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.99 178.71 6.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.458 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.95 -87.09 0.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.634 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.79 3.35 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -92.01 -58.41 2.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.685 0.279 . . . . 0.0 111.315 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 p -82.15 118.97 23.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.9 134.91 51.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 -129.37 138.95 51.82 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 -177.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.464 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.543 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 1' ' ' MET . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -99.86 -15.33 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.79 96.29 0.26 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.825 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 122.024 0.916 . . . . 0.0 110.607 179.185 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.46 133.58 55.32 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.368 0.418 . . . . 0.0 110.427 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.616 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 HG21 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 HG21 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.661 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.661 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.49 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.477 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.579 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 76' ' ' GLN . 2.2 m120 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.601 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -93.18 107.4 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.7 95.36 9.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.55 -164.79 33.74 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.801 175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.98 -39.28 13.39 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.063 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.96 -121.42 0.07 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.592 0.234 . . . . 0.0 110.415 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 p -78.71 130.67 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.985 0.421 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -78.22 144.73 36.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.953 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.24 136.8 48.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.579 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.424 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.409 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.494 HD12 HD21 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.572 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -115.83 24.28 11.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.572 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -64.76 -30.34 77.68 Favored Glycine 0 C--N 1.325 -0.039 0 C-N-CA 121.064 -0.588 . . . . 0.0 114.492 -169.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 117.177 0.489 . . . . 0.0 110.956 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.637 0.256 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.54 -176.11 2.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.558 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 2.8 t-20 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.584 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.601 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.52 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.761 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.761 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.544 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.645 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 90' ' ' TYR . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 74' ' ' HIS . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 89.2 m-70 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.541 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -70.93 131.75 44.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.23 -41.23 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.64 77.04 0.95 Allowed Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.21 -177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.435 ' HA3' ' OE2' ' A' ' 88' ' ' GLU . . . -159.64 -123.71 0.71 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -129.52 -79.13 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.961 0.41 . . . . 0.0 110.386 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 6.32 23.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.523 ' HB3' HD22 ' A' ' 80' ' ' LEU . 37.2 m-70 69.76 116.78 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.663 -175.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' OE2' ' HA3' ' A' ' 84' ' ' GLY . 1.9 pm0 -114.36 108.58 17.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -170.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.405 ' HB3' HG21 ' A' ' 71' ' ' THR . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.517 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.645 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.656 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.483 HH22 ' ND2' ' A' ' 107' ' ' ASN . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.483 ' ND2' HH22 ' A' ' 104' ' ' ARG . 13.3 t-20 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.13 -25.6 11.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 97.93 116.52 3.57 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.339 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.498 -1.049 0 CA-C-O 122.546 1.165 . . . . 0.0 110.489 178.477 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' O ' ' HA ' ' A' ' 97' ' ' SER . 46.9 ttm . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -95.62 174.81 6.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.47 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.541 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG23 HG22 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.47 ' HB2' ' ND2' ' A' ' 77' ' ' ASN . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.566 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.926 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.926 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.598 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.684 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.666 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.5 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 35' ' ' TYR . 8.2 t30 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.684 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.527 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.649 HD12 ' NE2' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -92.48 117.5 30.0 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.99 115.41 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.276 0.56 . . . . 0.0 112.148 -176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.7 -159.4 22.77 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.843 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.44 -83.45 0.15 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.776 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.41 -63.92 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.632 0.73 . . . . 0.0 109.727 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -80.32 145.58 32.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.286 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.538 ' HB3' HD21 ' A' ' 80' ' ' LEU . 9.9 m-70 -131.32 147.88 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.598 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 -137.34 144.3 42.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.429 ' HB3' HG23 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.45 ' HA ' HD12 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.599 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.06 6.96 47.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.599 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -75.79 2.53 54.3 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.468 174.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 171.145 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.09 143.75 43.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.576 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.924 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.612 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.612 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 ' HB ' HD12 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HG2' HH11 ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' ALA . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.771 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.583 HD13 ' HH ' ' A' ' 105' ' ' TYR . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.529 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.453 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.52 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 87' ' ' HIS . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.17 115.19 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.82 81.62 8.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.29 47.16 1.07 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.952 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.85 -88.43 0.86 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.706 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.02 -71.72 0.51 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.046 0.45 . . . . 0.0 110.809 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -81.26 145.02 31.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.79 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.2 m170 -126.88 109.27 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 -105.41 128.62 53.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.794 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.771 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' HH ' HD13 ' A' ' 51' ' ' ILE . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -90.26 -41.69 11.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.34 55.35 15.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.803 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -177.258 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.772 0.32 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -107.42 176.57 5.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.523 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' CG ' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 41' ' ' GLU . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.443 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.74 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.646 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 88' ' ' GLU . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.645 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.638 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.464 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD21 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' N ' HD21 ' A' ' 80' ' ' LEU . 2.4 t80 -87.69 99.06 11.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HA ' ' HD1' ' A' ' 87' ' ' HIS . 7.4 mp -88.93 -13.86 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 -178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.38 72.37 1.94 Allowed Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.173 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.17 28.55 0.03 OUTLIER Glycine 0 C--N 1.321 -0.255 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 60.66 -75.93 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.683 0.793 . . . . 0.0 111.073 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 p -68.27 117.7 10.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.621 ' HD1' ' HA ' ' A' ' 82' ' ' LEU . 18.3 m-70 -90.64 145.47 24.82 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.771 -173.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 -148.6 136.0 20.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.645 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' HB3' HG21 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.643 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -118.14 -0.99 11.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.34 -68.58 1.61 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.126 -175.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 124.104 1.907 . . . . 0.0 111.419 -175.713 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.765 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 -131.78 -176.18 3.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.572 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.506 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.511 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.506 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.53 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.808 HG11 HG23 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.492 HG23 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.496 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 1.006 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 1.006 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 53' ' ' PRO . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.649 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 77' ' ' ASN . 1.9 t-20 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.761 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 87' ' ' HIS . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -52.03 115.47 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.44 151.86 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.431 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.2 -172.27 39.96 Favored Glycine 0 N--CA 1.441 -1.017 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.72 -10.31 83.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -81.74 -168.37 1.87 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.024 0.44 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.0 p -72.29 -4.98 32.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.536 ' HB3' HD23 ' A' ' 80' ' ' LEU . 20.6 m170 70.94 115.64 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.277 0.631 . . . . 0.0 109.967 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -116.61 143.48 45.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.649 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.433 ' HB3' HG21 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HB2' HG23 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.765 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.425 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -66.49 -43.16 86.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 112' ' ' ASP . . . -146.99 -123.88 1.49 Allowed Glycine 0 N--CA 1.429 -1.789 0 C-N-CA 119.685 -1.245 . . . . 0.0 112.074 173.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 111' ' ' GLY . 5.8 t70 . . . . . 0 N--CA 1.409 -2.517 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -108.69 152.1 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.854 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 25' ' ' LYS . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' HD1' ' A' ' 74' ' ' HIS . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.558 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.572 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.567 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 88' ' ' GLU . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.599 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.554 ' HD1' ' HB2' ' A' ' 25' ' ' LYS . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.448 ' ND2' ' HE2' ' A' ' 37' ' ' TYR . 12.4 m120 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -56.8 110.88 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -84.09 173.67 10.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.683 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.21 0.53 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.837 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.89 -82.75 1.43 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.564 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.31 -122.21 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.171 0.188 . . . . 0.0 111.413 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -65.5 157.79 28.65 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.838 0.352 . . . . 0.0 110.2 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -123.62 164.73 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 -122.98 131.14 53.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 -178.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.487 ' HB3' HG21 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.505 ' OG ' HG23 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' HD13 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.505 HG23 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -86.04 -44.27 12.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.39 -122.21 2.02 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 119.271 -1.442 . . . . 0.0 112.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.438 -1.053 0 C-N-CA 123.969 0.908 . . . . 0.0 108.595 -174.377 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 -116.58 -176.96 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.518 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.655 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' C ' ' HG1' ' A' ' 18' ' ' THR . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' HG1' ' C ' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.631 HG23 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 53' ' ' PRO . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.631 ' CE1' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.451 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.533 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 -76.22 98.92 4.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD21 HD21 ' A' ' 80' ' ' LEU . 76.1 mt -72.7 -17.19 61.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.372 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.4 78.91 0.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.237 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.35 165.87 30.85 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.58 -68.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.072 0.463 . . . . 0.0 111.393 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 p -85.95 -13.07 48.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 18.1 m-70 68.43 148.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.088 -175.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.44 146.0 23.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HA ' HD12 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.59 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.549 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CE2' HD23 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.644 ' HB3' ' HA3' ' A' ' 111' ' ' GLY . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.577 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER 90.67 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.644 ' HA3' ' HB3' ' A' ' 106' ' ' LEU . . . -164.79 26.48 0.19 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.559 171.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.413 -2.284 0 N-CA-C 105.375 -2.084 . . . . 0.0 105.375 -176.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' O ' ' HA ' ' A' ' 97' ' ' SER . 18.3 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.544 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 -105.23 -176.35 3.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.265 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG13 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' HG1' ' C ' ' A' ' 38' ' ' VAL . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.689 HG13 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.544 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.689 HG22 HG13 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 HD12 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' CG ' ' HZ2' ' A' ' 56' ' ' LYS . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.544 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 87' ' ' HIS . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 -75.83 116.5 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.09 -8.46 36.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.75 0.309 . . . . 0.0 111.728 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.28 89.03 0.6 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.911 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.71 169.86 19.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.036 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 3.4 mp0 -61.35 -56.51 19.57 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -85.5 132.21 34.24 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.418 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.502 ' HB3' HD22 ' A' ' 80' ' ' LEU . 59.9 m170 -80.62 128.65 33.86 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 -103.11 124.23 48.16 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 -164.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.583 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.426 ' N ' HD11 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.525 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 1' ' ' MET . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.484 ' HH ' HD13 ' A' ' 51' ' ' ILE . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.441 HD12 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -92.04 -48.0 6.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.41 43.59 2.79 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.847 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 122.107 0.956 . . . . 0.0 112.998 -174.149 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -126.37 -172.03 2.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.278 171.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.552 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.551 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.551 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB2' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.961 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.961 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CD1' ' A' ' 109' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.441 ' HD3' HD13 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.695 HD22 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.546 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' A' ' 87' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 19.9 t80 -62.4 107.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 99.94 9.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.57 -176.85 23.93 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.919 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.52 25.54 27.93 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.569 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 1.3 mp0 -91.31 -71.07 0.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 t -162.07 11.26 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.402 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' HB3' HD21 ' A' ' 80' ' ' LEU . 8.6 m170 61.64 101.53 0.03 OUTLIER 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -169.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -94.32 119.02 32.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.419 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HA ' HG12 ' A' ' 50' ' ' ILE . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.509 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.509 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.52 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD1' ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.76 -46.59 7.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 107' ' ' ASN . . . 85.03 110.95 0.68 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.862 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 121.935 0.874 . . . . 0.0 110.667 176.497 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' GLY . 74.7 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.595 0.236 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 74' ' ' HIS . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.964 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.964 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.507 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 99' ' ' ARG . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.538 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.563 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.868 ' HD3' HD21 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.651 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.868 HD21 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.651 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.657 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 121.22 0.533 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.694 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HB2' HD21 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.957 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.957 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.964 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 81' ' ' TYR . 43.5 tt0 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 99' ' ' ARG . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.449 HG21 HG12 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 HG21 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.636 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.541 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 40' ' ' ARG . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 HG12 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.726 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 . . . . . 0 CA--C 1.516 -0.35 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.726 ' CD2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 63' ' ' ALA . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.559 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 52.3 t30 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.71 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.94 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.94 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.538 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.438 0.637 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.465 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 102' ' ' LEU . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HD2' ' A' ' 29' ' ' TYR . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.599 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HD2' ' HB3' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' HE1' ' A' ' 94' ' ' HIS . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 1.067 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.649 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HB3' ' O ' ' A' ' 77' ' ' ASN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.649 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 1.067 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' HD1' ' HA ' ' A' ' 80' ' ' LEU . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' HE1' HG12 ' A' ' 51' ' ' ILE . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 98' ' ' SER . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.612 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 . . . . . 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.648 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 35' ' ' TYR . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.648 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.67 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.585 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 29.8 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 76' ' ' GLN . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.67 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.639 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.814 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.953 0.406 . . . . 0.0 111.591 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 7' ' ' GLU . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 81.2 m-20 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 43' ' ' ARG . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.833 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.568 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.833 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.814 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.615 ' HG ' ' N ' ' A' ' 2' ' ' TYR . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.524 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' HB3' ' H ' ' A' ' 4' ' ' ARG . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' HD1' ' HB3' ' A' ' 30' ' ' ARG . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' ' 39' ' ' ASN . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.482 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' HD13 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.523 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 28.4 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.761 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.761 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.581 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.623 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.448 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.672 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 64.4 t30 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.461 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 m-20 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.665 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.665 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.597 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.479 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 109' ' ' LEU . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.656 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 58.8 t30 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.472 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.598 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.518 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.57 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.518 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.379 0.609 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.664 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.729 ' HD2' ' H ' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HG3' ' A' ' 58' ' ' ARG . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' ARG . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.933 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.933 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' HB3' ' HG3' ' A' ' 93' ' ' PRO . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.612 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.692 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.692 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 29.2 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.567 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 80' ' ' LEU . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.941 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.616 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.616 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.52 HH11 ' HG2' ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.322 0.582 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.735 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.485 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.747 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.747 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.676 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 90' ' ' TYR . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.658 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.667 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.457 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.525 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.658 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.62 ' HB3' HG22 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.676 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.799 0.333 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 10' ' ' ARG . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.807 HG12 HG22 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.539 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.986 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.986 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.662 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.764 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.662 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 53' ' ' PRO . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.781 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.446 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' THR . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HD1' ' HB3' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 23' ' ' THR . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.623 HG22 ' HB3' ' A' ' 90' ' ' TYR . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.607 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.553 ' ND2' ' HA ' ' A' ' 52' ' ' HIS . 94.2 m-20 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.623 ' HB3' HG22 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.512 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.483 ' HA ' HD11 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.512 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 99' ' ' ARG . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' H ' ' HA ' ' A' ' 26' ' ' THR . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 93' ' ' PRO . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.699 ' CE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.415 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.542 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 7' ' ' GLU . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.762 ' CE2' HD22 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.508 HD11 HD23 ' A' ' 12' ' ' LEU . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.762 HD22 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.871 0.367 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.559 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.579 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.563 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.565 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.587 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 . . . . . 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 23' ' ' THR . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.472 HD11 ' HD3' ' A' ' 70' ' ' LYS . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.917 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.917 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' HD2' HD22 ' A' ' 55' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD3' HD11 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.75 HD21 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.7 mt-10 . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 74.7 m-85 -71.52 152.43 43.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.436 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 74' ' ' HIS . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.964 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.964 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.507 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 87' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.76 105.69 0.58 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -85.1 -19.35 32.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.425 -177.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.38 55.52 4.84 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.161 -176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.02 169.91 42.15 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.84 -59.18 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.178 0.513 . . . . 0.0 109.776 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 p -91.45 125.98 36.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.308 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.0 m80 -91.52 107.14 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.362 0.601 . . . . 0.0 109.41 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.93 145.08 47.07 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.001 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 99' ' ' ARG . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.538 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.97 -8.85 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.33 -80.77 1.32 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.788 -1.196 . . . . 0.0 114.517 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 CA--C 1.507 -0.675 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -163.319 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 -64.63 155.37 33.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.266 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.563 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.868 ' HD3' HD21 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.651 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.868 HD21 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 -66.83 131.18 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 85.15 5.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.16 47.25 1.12 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.54 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.97 -106.6 2.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.67 -57.28 4.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 109.55 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.7 p -64.47 118.11 8.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.236 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 61.4 m170 -115.44 95.53 5.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 -88.77 132.31 34.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.651 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.657 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.69 -14.99 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.57 58.87 4.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.847 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.506 -0.738 0 CA-C-O 123.25 1.5 . . . . 0.0 108.677 172.217 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.021 0.438 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 67.27 165.83 0.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.44 -170.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.694 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HB2' HD21 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.957 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.957 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.964 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 87' ' ' HIS . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 -120.77 124.19 44.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.911 ' H ' ' HA ' ' A' ' 86' ' ' THR . 1.9 tm? -75.47 152.05 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.644 ' N ' HD13 ' A' ' 82' ' ' LEU . . . -68.27 62.69 0.4 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 119.765 -1.207 . . . . 0.0 111.146 167.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.81 -78.12 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' H ' HD12 ' A' ' 82' ' ' LEU . 2.3 mp0 -79.29 -148.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 170.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.911 ' HA ' ' H ' ' A' ' 82' ' ' LEU . 4.3 t -135.69 92.6 2.84 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.944 -0.473 . . . . 0.0 111.54 174.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' NE2' ' HG ' ' A' ' 82' ' ' LEU . 29.1 p80 -170.53 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 82' ' ' LEU . 43.5 tt0 -96.21 132.46 41.63 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.768 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 99' ' ' ARG . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -85.96 -53.14 5.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.89 51.54 39.48 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.827 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -176.282 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 -130.12 -161.71 1.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG21 HG12 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 HG21 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.636 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 -84.49 113.39 21.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.14 98.08 8.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.815 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.79 -127.34 5.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.95 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.66 -88.24 2.0 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.092 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.97 -69.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 t -86.04 124.88 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.378 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.547 ' HB3' HD21 ' A' ' 80' ' ' LEU . 5.4 m170 -111.73 133.9 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -126.59 155.43 42.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 -172.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.541 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.3 -23.29 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.91 50.3 0.78 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.217 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 . . . . . 0 N--CA 1.422 -1.866 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 -134.79 -179.96 5.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 174.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 40' ' ' ARG . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 HG12 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.726 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 2.7 t80 -60.65 146.47 45.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.74 -99.02 0.43 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.7 -141.2 28.48 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.152 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.6 -0.21 34.62 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.86 -22.99 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.122 -0.539 . . . . 0.0 111.518 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 p 69.84 80.33 0.18 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.697 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.654 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 95.0 m-70 62.81 -164.38 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.668 -1.151 . . . . 0.0 113.054 171.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 95.44 112.91 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.855 1.662 . . . . 0.0 107.862 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.726 ' CD2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 63' ' ' ALA . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -104.03 -0.5 28.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.93 56.22 0.48 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 122.441 1.115 . . . . 0.0 111.052 -172.038 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.559 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 52.3 t30 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.71 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.94 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.94 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.538 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 60.1 t80 -66.58 104.49 1.29 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -81.5 83.63 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.285 0.564 . . . . 0.0 110.096 -176.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.56 161.1 12.99 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.95 -27.67 72.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -95.62 -61.98 1.37 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.503 0.668 . . . . 0.0 110.594 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.08 51.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.309 -169.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 9.4 m-70 -99.8 87.38 3.52 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 -99.73 144.81 28.36 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.319 -169.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.465 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -101.01 1.68 39.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -87.18 -6.01 79.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.408 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 123.242 1.496 . . . . 0.0 109.592 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 97' ' ' SER . 92.4 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.56 -171.9 2.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 102' ' ' LEU . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HD2' ' A' ' 29' ' ' TYR . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.599 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HD2' ' HB3' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' HE1' ' A' ' 94' ' ' HIS . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 1.067 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.649 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HB3' ' O ' ' A' ' 77' ' ' ASN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.649 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 -54.8 133.87 47.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.5 mt -71.95 -16.07 62.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.486 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.6 111.6 4.31 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.03 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.96 150.8 10.88 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.376 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.07 -52.45 65.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.301 0.572 . . . . 0.0 111.286 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -79.18 -11.75 59.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.177 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 65.94 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.069 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 -114.05 123.71 50.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 1.067 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' HD1' ' HA ' ' A' ' 80' ' ' LEU . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' HE1' HG12 ' A' ' 51' ' ' ILE . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 1' ' ' MET . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 98' ' ' SER . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.612 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -93.68 -40.4 10.27 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.76 63.77 3.52 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.106 -0.568 . . . . 0.0 113.244 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -122.02 -177.33 3.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.368 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.648 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 35' ' ' TYR . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.648 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.67 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.585 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 29.8 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 76' ' ' GLN . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 -78.34 144.42 36.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -110.86 87.7 2.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.93 13.39 63.66 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.754 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 85' ' ' GLU . . . 87.15 114.76 1.01 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 84' ' ' GLY . 34.7 tt0 69.08 -61.99 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.466 0.706 . . . . 0.0 110.941 -174.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.7 t -65.91 138.9 58.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.413 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -127.39 78.97 1.86 Allowed 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.736 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 -76.31 137.43 39.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.67 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.639 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.605 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -117.4 11.73 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -74.84 3.36 44.63 Favored Glycine 0 N--CA 1.46 0.252 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.787 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 CA--C 1.509 -0.627 0 CA-C-O 122.34 1.067 . . . . 0.0 109.906 175.61 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 1' ' ' MET . 44.3 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.536 0.684 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.814 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 56.82 -169.44 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.591 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 7' ' ' GLU . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 81.2 m-20 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 43' ' ' ARG . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.833 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.568 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -72.33 112.68 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.47 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.202 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.82 -84.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.35 -127.37 2.86 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.97 -51.71 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p -77.69 138.88 39.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.101 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.503 ' HB3' HD22 ' A' ' 80' ' ' LEU . 16.9 m170 -113.91 160.66 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 110.868 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -139.83 130.93 26.39 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.833 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.814 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.43 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.75 4.19 8.84 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -65.52 -47.27 79.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.151 -0.547 . . . . 0.0 114.115 -170.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -174.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' HA ' ' A' ' 97' ' ' SER . 54.3 mtt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 -134.72 -174.71 3.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.099 169.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.524 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' HB3' ' H ' ' A' ' 4' ' ' ARG . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' HD1' ' HB3' ' A' ' 30' ' ' ARG . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' ' 39' ' ' ASN . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.482 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' HD13 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.523 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 28.4 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.761 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.761 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.61 119.99 16.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.99 178.71 6.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.458 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.95 -87.09 0.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.634 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.79 3.35 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -92.01 -58.41 2.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.685 0.279 . . . . 0.0 111.315 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 p -82.15 118.97 23.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.9 134.91 51.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 -129.37 138.95 51.82 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 -177.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.581 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 1' ' ' MET . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -99.86 -15.33 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.79 96.29 0.26 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.825 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 122.024 0.916 . . . . 0.0 110.607 179.185 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.46 133.58 55.32 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.368 0.418 . . . . 0.0 110.427 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.623 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.448 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.672 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 64.4 t30 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 76' ' ' GLN . 47.2 m-20 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.665 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.665 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -93.18 107.4 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.7 95.36 9.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.55 -164.79 33.74 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.801 175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.98 -39.28 13.39 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.063 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.96 -121.42 0.07 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.592 0.234 . . . . 0.0 110.415 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 p -78.71 130.67 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.985 0.421 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.402 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 11.9 m170 -78.22 144.73 36.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.953 -177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.24 136.8 48.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.597 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.479 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.577 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 109' ' ' LEU . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -115.83 24.28 11.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -64.76 -30.34 77.68 Favored Glycine 0 C--N 1.325 -0.039 0 C-N-CA 121.064 -0.588 . . . . 0.0 114.492 -169.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 117.177 0.489 . . . . 0.0 110.956 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.637 0.256 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.54 -176.11 2.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 58.8 t30 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.472 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.598 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.518 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.57 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -70.93 131.75 44.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.23 -41.23 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.64 77.04 0.95 Allowed Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.21 -177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.438 ' HA3' ' OE2' ' A' ' 88' ' ' GLU . . . -159.64 -123.71 0.71 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -129.52 -79.13 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.961 0.41 . . . . 0.0 110.386 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 6.32 23.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.579 ' HB3' HD22 ' A' ' 80' ' ' LEU . 37.2 m-70 69.76 116.78 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.663 -175.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' OE2' ' HA3' ' A' ' 84' ' ' GLY . 1.9 pm0 -114.36 108.58 17.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -170.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.664 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.729 ' HD2' ' H ' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HG3' ' A' ' 58' ' ' ARG . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.13 -25.6 11.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 97.93 116.52 3.57 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.339 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.498 -1.049 0 CA-C-O 122.546 1.165 . . . . 0.0 110.489 178.477 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' SER . 46.9 ttm . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -95.62 174.81 6.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' ARG . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.933 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.933 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' HB3' ' HG3' ' A' ' 93' ' ' PRO . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.612 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.692 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.692 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 29.2 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.567 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -92.48 117.5 30.0 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.99 115.41 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.276 0.56 . . . . 0.0 112.148 -176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.7 -159.4 22.77 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.843 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.44 -83.45 0.15 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.776 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.41 -63.92 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.632 0.73 . . . . 0.0 109.727 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -80.32 145.58 32.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.286 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.692 ' HB3' HD21 ' A' ' 80' ' ' LEU . 9.9 m-70 -131.32 147.88 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 -137.34 144.3 42.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 80' ' ' LEU . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.605 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.06 6.96 47.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -75.79 2.53 54.3 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.468 174.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 171.145 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' SER . 59.9 mtt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.09 143.75 43.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.941 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.616 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.616 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.52 HH11 ' HG2' ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 87' ' ' HIS . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.17 115.19 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.2 mm? -84.82 81.62 8.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.29 47.16 1.07 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.952 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.85 -88.43 0.86 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.706 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.02 -71.72 0.51 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.046 0.45 . . . . 0.0 110.809 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -81.26 145.02 31.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.79 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.2 m170 -126.88 109.27 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 -105.41 128.62 53.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.794 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.735 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' MET . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.485 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -90.26 -41.69 11.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.34 55.35 15.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.803 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -177.258 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.772 0.32 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -107.42 176.57 5.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 HH22 ' HA2' ' A' ' 111' ' ' GLY . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.747 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.747 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.676 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 90' ' ' TYR . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.658 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.667 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.457 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.4 t80 -87.69 99.06 11.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.93 -13.86 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.38 72.37 1.94 Allowed Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.173 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.17 28.55 0.03 OUTLIER Glycine 0 C--N 1.321 -0.255 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 60.66 -75.93 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.683 0.793 . . . . 0.0 111.073 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 p -68.27 117.7 10.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' HB3' HD22 ' A' ' 80' ' ' LEU . 18.3 m-70 -90.64 145.47 24.82 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.771 -173.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 -148.6 136.0 20.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.658 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.62 ' HB3' HG22 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.676 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -118.14 -0.99 11.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.413 ' HA2' HH22 ' A' ' 31' ' ' ARG . . . -67.34 -68.58 1.61 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.126 -175.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 124.104 1.907 . . . . 0.0 111.419 -175.713 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 -131.78 -176.18 3.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.572 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 10' ' ' ARG . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.807 HG12 HG22 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.539 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.986 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.986 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.662 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.764 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -52.03 115.47 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.44 151.86 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.431 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.2 -172.27 39.96 Favored Glycine 0 N--CA 1.441 -1.017 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.72 -10.31 83.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -81.74 -168.37 1.87 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.024 0.44 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.0 p -72.29 -4.98 32.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.629 ' HB3' HD22 ' A' ' 80' ' ' LEU . 20.6 m170 70.94 115.64 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.277 0.631 . . . . 0.0 109.967 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -116.61 143.48 45.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.662 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 53' ' ' PRO . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.781 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -66.49 -43.16 86.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 112' ' ' ASP . . . -146.99 -123.88 1.49 Allowed Glycine 0 N--CA 1.429 -1.789 0 C-N-CA 119.685 -1.245 . . . . 0.0 112.074 173.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' A' ' 111' ' ' GLY . 5.8 t70 . . . . . 0 N--CA 1.409 -2.517 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -108.69 152.1 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.854 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' THR . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HD1' ' HB3' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 23' ' ' THR . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.623 HG22 ' HB3' ' A' ' 90' ' ' TYR . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.607 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.553 ' ND2' ' HA ' ' A' ' 52' ' ' HIS . 94.2 m-20 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -56.8 110.88 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -84.09 173.67 10.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.683 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.21 0.53 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.837 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.89 -82.75 1.43 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.564 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.31 -122.21 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.171 0.188 . . . . 0.0 111.413 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -65.5 157.79 28.65 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.838 0.352 . . . . 0.0 110.2 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -123.62 164.73 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 -122.98 131.14 53.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 -178.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.623 ' HB3' HG22 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.512 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.483 ' HA ' HD11 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.512 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -86.04 -44.27 12.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.39 -122.21 2.02 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 119.271 -1.442 . . . . 0.0 112.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.438 -1.053 0 C-N-CA 123.969 0.908 . . . . 0.0 108.595 -174.377 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 -116.58 -176.96 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 99' ' ' ARG . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' H ' ' HA ' ' A' ' 26' ' ' THR . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 93' ' ' PRO . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.699 ' CE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.415 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.542 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 -76.22 98.92 4.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD23 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -72.7 -17.19 61.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.372 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.4 78.91 0.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.237 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.35 165.87 30.85 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.58 -68.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.072 0.463 . . . . 0.0 111.393 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 p -85.95 -13.07 48.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB3' HD21 ' A' ' 80' ' ' LEU . 18.1 m-70 68.43 148.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.088 -175.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.44 146.0 23.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 7' ' ' GLU . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.762 ' CE2' HD22 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 111' ' ' GLY . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.762 HD22 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER 90.67 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 106' ' ' LEU . . . -164.79 26.48 0.19 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.559 171.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.413 -2.284 0 N-CA-C 105.375 -2.084 . . . . 0.0 105.375 -176.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.555 ' O ' ' HA ' ' A' ' 97' ' ' SER . 18.3 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 -105.23 -176.35 3.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.265 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.559 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.579 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.563 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.565 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.587 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 87' ' ' HIS . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 -75.83 116.5 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.09 -8.46 36.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.75 0.309 . . . . 0.0 111.728 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.28 89.03 0.6 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.911 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.71 169.86 19.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.036 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 3.4 mp0 -61.35 -56.51 19.57 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -85.5 132.21 34.24 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.418 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB3' HD22 ' A' ' 80' ' ' LEU . 59.9 m170 -80.62 128.65 33.86 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 -103.11 124.23 48.16 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 -164.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 1' ' ' MET . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -92.04 -48.0 6.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.41 43.59 2.79 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.847 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 122.107 0.956 . . . . 0.0 112.998 -174.149 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -126.37 -172.03 2.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.278 171.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 23' ' ' THR . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.472 HD11 ' HD3' ' A' ' 70' ' ' LYS . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.917 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.917 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' HD2' HD22 ' A' ' 55' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD3' HD11 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.75 HD21 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 19.9 t80 -62.4 107.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 99.94 9.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' HA3' ' OE2' ' A' ' 85' ' ' GLU . . . -150.57 -176.85 23.93 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.52 25.54 27.93 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.569 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 1.3 mp0 -91.31 -71.07 0.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 t -162.07 11.26 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.402 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.543 ' HB3' HD22 ' A' ' 80' ' ' LEU . 8.6 m170 61.64 101.53 0.03 OUTLIER 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -169.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 mt-10 -94.32 119.02 32.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 -169.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.76 -46.59 7.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 107' ' ' ASN . . . 85.03 110.95 0.68 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.862 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 121.935 0.874 . . . . 0.0 110.667 176.497 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' GLY . 74.7 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.595 0.236 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 74' ' ' HIS . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.964 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.964 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.507 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 . . . . . 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.442 -0.837 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 99' ' ' ARG . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.538 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.079 0.466 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.563 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.868 ' HD3' HD21 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.651 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.868 HD21 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.651 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.657 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 121.22 0.533 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.694 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HB2' HD21 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.957 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.957 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.964 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 81' ' ' TYR . 43.5 tt0 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 99' ' ' ARG . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.447 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.449 HG21 HG12 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 HG21 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.636 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.541 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 40' ' ' ARG . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 HG12 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 65.2 m-70 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HB3' ' ND1' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 . . . . . 0 CA--C 1.516 -0.35 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.526 ' ND1' ' HB3' ' A' ' 76' ' ' GLN . 7.3 m170 -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 63' ' ' ALA . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.559 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.6 t-20 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 39' ' ' ASN . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.71 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.94 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.94 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.538 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 . . . . . 0 CA--C 1.506 -0.744 0 CA-C-O 121.438 0.637 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.465 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 102' ' ' LEU . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HD2' ' A' ' 29' ' ' TYR . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.599 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.599 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HD2' ' HB3' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' HE1' ' A' ' 94' ' ' HIS . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 1.067 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.649 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HB3' ' O ' ' A' ' 77' ' ' ASN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.649 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 1.067 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' HD1' ' HA ' ' A' ' 80' ' ' LEU . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' HE1' HG12 ' A' ' 51' ' ' ILE . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 98' ' ' SER . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.612 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 . . . . . 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.648 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 35' ' ' TYR . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.648 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.67 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.585 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.3 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 76' ' ' GLN . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.67 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.639 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.814 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.953 0.406 . . . . 0.0 111.591 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 7' ' ' GLU . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.8 m120 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 43' ' ' ARG . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.833 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.568 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 . . . . . 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.833 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.814 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.615 ' HG ' ' N ' ' A' ' 2' ' ' TYR . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.43 HD13 ' O ' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.524 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' HB3' ' H ' ' A' ' 4' ' ' ARG . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' HD1' ' HB3' ' A' ' 30' ' ' ARG . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' ' 39' ' ' ASN . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.482 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' HD13 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.523 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.6 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.761 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.761 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.581 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.623 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.448 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.672 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.461 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' ASN . 2.2 m120 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.665 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.665 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.597 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.479 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 109' ' ' LEU . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.656 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 2.8 t-20 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.472 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.598 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.518 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.57 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 74' ' ' HIS . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 89.2 m-70 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.518 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.538 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 121.379 0.609 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.664 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.729 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.483 HH22 ' ND2' ' A' ' 107' ' ' ASN . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.483 ' ND2' HH22 ' A' ' 104' ' ' ARG . 13.3 t-20 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HG3' ' A' ' 58' ' ' ARG . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' ARG . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' HB2' ' ND2' ' A' ' 77' ' ' ASN . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.933 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.933 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' HB3' ' HG3' ' A' ' 93' ' ' PRO . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.612 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.692 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.692 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.5 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 35' ' ' TYR . 8.2 t30 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.567 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 80' ' ' LEU . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.616 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.616 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HG2' HH11 ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.523 ' NZ ' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.322 0.582 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.735 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.485 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.747 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.747 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.676 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 90' ' ' TYR . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.658 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.667 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.457 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.525 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.028 0.442 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.658 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.62 ' HB3' HG22 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.676 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.799 0.333 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 10' ' ' ARG . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.531 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.807 HG12 HG22 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.539 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.986 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.986 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.662 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.422 HD22 ' HA ' ' A' ' 77' ' ' ASN . 1.9 t-20 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.764 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.662 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 53' ' ' PRO . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.781 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.446 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' THR . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HD1' ' HB3' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 23' ' ' THR . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.623 HG22 ' HB3' ' A' ' 90' ' ' TYR . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.607 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.448 ' ND2' ' HE2' ' A' ' 37' ' ' TYR . 12.4 m120 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.623 ' HB3' HG22 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.512 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.483 ' HA ' HD11 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.512 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 99' ' ' ARG . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' H ' ' HA ' ' A' ' 26' ' ' THR . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 93' ' ' PRO . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.699 ' CE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.415 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.542 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 7' ' ' GLU . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.762 ' CE2' HD22 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.508 HD11 HD23 ' A' ' 12' ' ' LEU . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.762 HD22 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.871 0.367 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.559 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.579 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.563 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.565 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.587 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 . . . . . 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 23' ' ' THR . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.472 HD11 ' HD3' ' A' ' 70' ' ' LYS . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.917 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.917 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' HD2' HD22 ' A' ' 55' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD3' HD11 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.75 HD21 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 26.7 mt-10 . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.436 ' HD1' ' SD ' ' A' ' 1' ' ' MET . 74.7 m-85 -71.52 152.43 43.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.436 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.32 121.84 21.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 30.2 ptt-85 -74.39 159.54 83.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 4' ' ' ARG . 10.2 Cg_endo -51.78 -35.44 58.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.195 2.597 . . . . 0.0 112.628 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.63 -46.38 73.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.78 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.22 -39.18 65.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.965 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.74 -48.55 87.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -40.45 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -59.52 -45.27 92.24 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.546 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.0 -40.66 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.403 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 89.1 mt -60.42 -39.75 88.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -57.0 -48.34 78.69 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.3 0.571 . . . . 0.0 110.397 176.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -64.9 -32.34 74.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.22 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.83 7.43 5.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.26 31.89 33.03 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.955 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.6 m-85 -89.29 174.94 7.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.177 0.513 . . . . 0.0 111.685 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 p -135.13 165.35 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.189 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.24 134.27 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.44 . . . . 0.0 110.941 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.81 -50.01 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.625 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.18 125.55 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.377 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.98 124.98 66.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 -176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' HG22 ' A' ' 26' ' ' THR . 61.6 p -143.58 165.41 27.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.502 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 65.0 t30 -71.17 -3.74 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.344 0.592 . . . . 0.0 110.446 178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 74' ' ' HIS . 47.6 mtpt -106.17 -18.49 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 HG22 ' OG1' ' A' ' 23' ' ' THR . 13.4 t -168.63 152.28 5.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 112.134 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 63.9 m-85 -107.05 97.06 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.325 169.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.24 123.85 18.26 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -126.03 143.15 51.22 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.955 0.407 . . . . 0.0 111.301 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.55 148.13 30.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.155 0.502 . . . . 0.0 111.692 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -139.51 97.07 3.2 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 171.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.1 -124.73 7.46 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -171.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.2 12.28 35.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.098 0.475 . . . . 0.0 110.72 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -95.51 116.94 29.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.621 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -117.11 132.96 56.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.04 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -138.6 168.62 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.7 119.32 14.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.746 0.308 . . . . 0.0 110.386 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.8 t -79.88 107.96 12.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -71.16 102.71 2.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.04 0.447 . . . . 0.0 110.045 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 48.0 ttt180 -77.54 -9.1 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.429 0.633 . . . . 0.0 110.044 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -79.32 -3.67 47.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.405 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.9 85.02 2.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.062 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -66.31 -31.61 72.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -110.87 132.31 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 166.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 2' ' ' TYR . . . -75.89 39.47 1.35 Allowed Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.969 -172.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' HB1' ' A' ' 66' ' ' ALA . 12.9 ttp180 -96.1 -33.14 12.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.823 0.344 . . . . 0.0 110.208 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -110.1 24.67 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.61 -37.0 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -171.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.0 tp -101.08 103.15 14.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.604 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 93' ' ' PRO . 18.0 mm -98.38 133.37 40.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.964 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.0 pt -106.32 -86.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.035 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.964 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.4 t-80 -179.98 150.3 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 78.5 Cg_exo -53.8 -168.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.771 2.314 . . . . 0.0 111.95 168.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 15.9 ttt85 74.5 -50.38 0.67 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 121.326 0.584 . . . . 0.0 110.88 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD22 HD11 ' A' ' 109' ' ' LEU . 68.7 mt -88.79 16.6 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.297 -175.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -57.23 -55.8 30.02 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.33 -37.75 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.9 tpt180 -64.04 -53.74 45.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.0 p -60.31 -42.59 95.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.957 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 43.1 m -61.08 -22.42 64.6 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.228 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -78.51 -19.45 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.09 -31.38 12.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.369 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' SER . . . -159.5 133.96 7.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.285 177.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 15.3 m-20 -68.18 147.21 98.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.05 -176.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.0 Cg_exo -77.4 158.76 32.87 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.899 2.399 . . . . 0.0 111.823 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.507 ' HB1' ' HG2' ' A' ' 46' ' ' ARG . . . -90.71 -11.67 38.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.264 0.554 . . . . 0.0 110.486 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 35.9 t -156.07 -111.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.393 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.98 -69.29 0.09 Allowed 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.812 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 pt -136.05 132.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.435 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 61.5 tttp -113.0 119.64 38.61 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.501 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 22.3 p -75.87 107.15 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.257 1.027 . . . . 0.0 112.029 -173.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.72 143.26 36.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.553 -1.658 . . . . 0.0 112.768 -171.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.66 -36.78 8.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 48.6 m170 -100.22 -41.97 6.87 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.09 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -76.3 98.67 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -173.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' C ' ' H ' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -57.15 -56.36 22.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 40.2 m-80 66.41 -29.53 0.13 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 76' ' ' GLN . 86.7 t80 101.61 -53.57 0.0 OUTLIER Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 125.884 1.674 . . . . 0.0 114.577 -176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.659 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 23.6 Cg_exo -68.51 12.04 0.26 Allowed 'Trans proline' 0 N--CA 1.485 1.018 0 C-N-CA 123.349 2.699 . . . . 0.0 115.735 -168.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 87' ' ' HIS . 2.6 tm? -3.42 106.33 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.125 1.37 . . . . 0.0 113.128 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.76 105.69 0.58 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.214 -172.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -85.1 -19.35 32.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.425 -177.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.38 55.52 4.84 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.161 -176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.02 169.91 42.15 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.84 -59.18 4.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.178 0.513 . . . . 0.0 109.776 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 p -91.45 125.98 36.38 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.308 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.0 m80 -91.52 107.14 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.362 0.601 . . . . 0.0 109.41 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.93 145.08 47.07 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.001 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 47.1 m-70 -69.85 174.19 5.5 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 55.6 p90 -146.35 132.1 18.98 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.793 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.84 166.84 13.03 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.436 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 53' ' ' PRO . 31.7 mt -104.58 112.65 65.39 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.463 0.631 . . . . 0.0 110.768 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 38.6 Cg_endo -69.15 123.67 10.54 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.361 2.707 . . . . 0.0 113.654 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -126.15 174.73 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.79 162.39 30.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.661 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' HZ ' ' CD1' ' A' ' 105' ' ' TYR . 87.2 m-85 -141.68 -171.92 3.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -176.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 p -152.15 18.97 0.66 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.298 -0.864 . . . . 0.0 108.883 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -147.22 115.61 6.65 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.482 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 99' ' ' ARG . 42.2 mtm-85 -60.39 -44.1 96.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.812 0.339 . . . . 0.0 111.606 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.48 -29.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.532 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.64 76.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.72 -36.58 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.774 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -60.29 -51.24 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.922 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 60.2 mtp85 -67.54 -26.02 66.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.132 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.402 ' CD1' ' HZ ' ' A' ' 96' ' ' PHE . 47.2 t80 -67.96 -50.94 52.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.58 -33.99 73.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.982 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.7 t-20 -60.83 -52.84 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.616 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.55 -74.6 0.48 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.53 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.538 HD11 HD22 ' A' ' 55' ' ' LEU . 35.9 tp -61.57 -31.38 71.43 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -167.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -118.97 -8.85 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.33 -80.77 1.32 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.788 -1.196 . . . . 0.0 114.517 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 CA--C 1.507 -0.675 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -163.319 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 78.8 m-85 -64.63 155.37 33.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.266 -174.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 139.98 31.47 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.884 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mtm105 -64.5 146.62 98.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.84 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.75 -40.84 78.47 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.582 2.188 . . . . 0.0 111.343 175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.65 -41.29 94.7 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.19 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.29 -42.34 88.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.904 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -59.98 -42.01 88.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.508 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.78 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.019 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 79.2 mtt85 -59.04 -50.8 72.71 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.343 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 68.2 t -64.28 -33.92 65.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.386 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.16 -50.46 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.722 0.296 . . . . 0.0 110.566 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -34.28 73.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.587 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 10' ' ' ARG . 9.2 mtpm? -58.28 -41.48 84.42 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 175.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.16 4.18 13.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.485 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.64 18.27 52.29 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.002 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 31' ' ' ARG . 35.4 m-85 -81.6 149.73 28.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 0.0 111.015 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -119.37 166.61 12.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.44 178.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.01 141.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.985 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -99.43 -69.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.668 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.12 111.45 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.627 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.19 123.38 39.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.313 0.578 . . . . 0.0 110.721 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 25.5 p -137.17 161.31 36.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.821 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -81.21 9.79 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.783 0.325 . . . . 0.0 111.806 -174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -132.87 -5.12 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.296 0.569 . . . . 0.0 109.727 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.563 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 96.6 m -158.82 137.88 11.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.858 -169.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 85.6 m-85 -109.42 95.95 5.96 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 171.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.88 136.49 31.14 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -138.01 146.92 43.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 117.097 0.448 . . . . 0.0 111.445 -174.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -157.32 148.77 22.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.274 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 47.5 ttp180 -132.21 65.62 1.57 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 173.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.5 -129.38 9.88 Favored Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.5 -171.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -87.69 -0.72 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.183 0.491 . . . . 0.0 111.88 -175.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -94.03 123.73 37.59 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -118.36 137.03 53.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.036 0.446 . . . . 0.0 111.819 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.73 159.62 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.732 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE1' ' HA ' ' A' ' 77' ' ' ASN . 95.9 m-85 -131.82 120.21 22.31 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.8 0.334 . . . . 0.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 58.8 t -89.24 114.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -69.4 107.89 3.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.521 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -64.2 -36.49 84.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.832 0.348 . . . . 0.0 110.815 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -90.58 27.27 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.613 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.05 73.31 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -75.04 -8.88 57.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.895 -173.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.69 -19.96 22.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.412 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.51 4.27 64.67 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.149 -175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 45.9 mtp180 -92.21 -20.17 21.47 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 120.808 0.337 . . . . 0.0 111.285 -175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 p -126.45 28.58 5.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.068 0.461 . . . . 0.0 111.173 -172.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -74.78 -36.04 62.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.28 -174.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.0 tp -106.8 103.78 13.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 111.06 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' HA ' ' A' ' 93' ' ' PRO . 81.5 mt -110.47 125.26 67.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.87 173.45 2.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 112.53 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.448 ' HD2' ' O ' ' A' ' 77' ' ' ASN . 44.0 t-80 -77.21 136.26 65.52 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.015 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.868 ' HD3' HD21 ' A' ' 77' ' ' ASN . 53.2 Cg_exo -60.56 98.99 0.14 Allowed 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 123.532 2.821 . . . . 0.0 112.0 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 168.3 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -171.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.94 15.36 29.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.527 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.17 -51.85 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.382 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -64.68 -35.81 82.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -67.85 -51.75 44.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.406 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -60.57 -32.53 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.278 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.23 -27.09 66.92 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.0 m -81.06 -6.39 58.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 0.0 111.465 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.95 -52.0 2.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.974 0.416 . . . . 0.0 111.119 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.98 124.21 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.341 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.9 p-10 -76.78 143.68 71.7 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.5 Cg_exo -74.18 149.37 40.76 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.029 2.486 . . . . 0.0 112.619 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.34 0.14 38.51 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.309 0.576 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.9 t -162.46 -130.43 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.625 -177.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -157.27 -46.2 0.07 Allowed 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.127 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 pt -148.4 143.48 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HE3' ' OD1' ' A' ' 39' ' ' ASN . 57.1 tttm -138.24 135.05 35.16 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.974 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 32.0 p -91.43 146.99 23.35 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.062 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 44.9 t 175.29 123.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.189 177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.9 -24.95 25.91 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.488 0.493 . . . . 0.0 112.174 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -67.99 -32.78 73.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.651 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -94.03 77.31 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.369 -176.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' C ' ' H ' ' A' ' 78' ' ' PHE . 10.9 pt20 -58.78 -47.5 84.49 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 173.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.868 HD21 ' HD3' ' A' ' 53' ' ' PRO . 61.6 t30 63.27 -3.69 0.35 Allowed 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.197 0.936 . . . . 0.0 113.257 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 74.3 t80 101.98 -60.68 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.124 1.77 . . . . 0.0 113.745 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 31.8 Cg_exo -62.42 -57.28 0.49 Allowed 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.014 1.809 . . . . 0.0 114.114 -171.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 89' ' ' HIS . 4.9 mt 66.49 118.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.095 0.474 . . . . 0.0 110.419 -173.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 69.1 t80 -66.83 131.18 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.194 0.521 . . . . 0.0 110.887 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.67 85.15 5.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.16 47.25 1.12 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.54 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.97 -106.6 2.11 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.67 -57.28 4.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.476 0.655 . . . . 0.0 109.55 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.7 p -64.47 118.11 8.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.236 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 61.4 m170 -115.44 95.53 5.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.8 pm0 -88.77 132.31 34.68 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.71 0.767 . . . . 0.0 110.945 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.651 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 6.4 m-70 -71.54 125.94 28.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -141.85 164.8 29.21 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.186 -0.605 . . . . 0.0 112.322 -170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.45 34.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.534 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 55.5 mt -109.8 112.63 58.14 Favored Pre-proline 0 C--O 1.236 0.369 0 CA-C-O 120.643 0.258 . . . . 0.0 110.859 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 16.4 Cg_exo -69.68 139.26 40.07 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.669 2.913 . . . . 0.0 114.039 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -137.98 173.92 11.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.229 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.92 159.07 26.36 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.549 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 102' ' ' LEU . 90.8 m-85 -136.13 -167.22 2.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 -171.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.5 t -152.64 14.04 0.56 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.236 0.541 . . . . 0.0 110.316 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.3 m -163.03 137.34 6.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.234 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -60.63 -48.7 80.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.657 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 8.0 tp -59.99 -32.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.558 0.218 . . . . 0.0 110.693 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.74 30.77 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD13 ' CE1' ' A' ' 96' ' ' PHE . 42.7 tp -55.01 -42.62 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.436 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -59.02 -57.21 14.09 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.054 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 100' ' ' ILE . 25.3 ptt180 -70.97 -25.69 62.82 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -75.23 -37.4 61.09 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.264 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 90.1 mt -60.57 -39.29 87.47 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.3 t-20 -54.76 -51.36 65.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.765 175.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.75 79.24 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.336 -0.847 . . . . 0.0 113.507 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.14 -63.23 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.69 -14.99 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.57 58.87 4.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.847 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.506 -0.738 0 CA-C-O 123.25 1.5 . . . . 0.0 108.677 172.217 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mmm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.021 0.438 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.454 ' CE2' ' HG2' ' A' ' 46' ' ' ARG . 69.5 m-85 67.27 165.83 0.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.768 -1.106 . . . . 0.0 110.44 -170.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -99.26 123.85 43.86 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.108 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -66.04 156.7 83.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.1 Cg_endo -52.04 -34.5 57.64 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.875 2.384 . . . . 0.0 111.07 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.694 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.3 m-20 -60.05 -57.88 10.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.671 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 -40.45 78.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.628 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 89.0 t -57.89 -48.5 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.188 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.55 -41.32 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.351 177.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HD3' ' O ' ' A' ' 6' ' ' ASP . 6.7 mpt_? -59.83 -42.06 92.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.371 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.24 -40.55 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.853 0.359 . . . . 0.0 110.192 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 94.1 mt -60.33 -44.1 95.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.628 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 33.1 mt-10 -58.72 -37.87 77.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -63.79 -36.61 84.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.112 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -2.37 29.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.651 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.0 13.63 56.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 21.9 m-85 -79.19 152.11 30.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.193 0.52 . . . . 0.0 111.38 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -129.41 162.9 27.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.969 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.64 134.75 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.252 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 13.1 t70 -99.97 -43.92 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.4 175.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG12 ' HA3' ' A' ' 28' ' ' GLY . 11.9 p -158.42 165.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.598 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' VAL . 2.7 p -145.55 117.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.004 0.431 . . . . 0.0 110.228 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -121.79 163.01 19.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.323 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -57.61 -23.2 49.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HE2' ' SG ' ' A' ' 72' ' ' CYS . 29.1 mtpp -106.02 -16.8 14.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.8 t -171.53 149.2 2.61 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 112.397 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 88.4 m-85 -85.19 159.49 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.526 174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -119.78 128.85 7.73 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 170.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -130.46 142.68 50.49 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 117.062 0.431 . . . . 0.0 111.163 -173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -149.98 148.41 29.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.131 0.491 . . . . 0.0 111.959 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -146.69 121.55 9.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 167.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.08 3.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.073 -173.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -117.73 12.27 13.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.343 0.592 . . . . 0.0 110.126 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 29.8 m-80 -90.57 108.55 19.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.831 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -107.15 130.34 54.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 51' ' ' ILE . 18.4 m -139.9 146.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.17 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -110.89 121.07 44.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.893 0.378 . . . . 0.0 110.542 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.1 t -92.99 101.55 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.509 HD21 ' HB2' ' A' ' 41' ' ' GLU . 6.8 t30 -62.41 129.7 41.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.961 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' HD3' ' CE2' ' A' ' 27' ' ' TYR . 25.9 tpt180 -84.88 -24.62 28.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 110.47 -172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HB2' HD21 ' A' ' 39' ' ' ASN . 18.1 mt-10 -81.06 15.18 1.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.335 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -77.01 66.21 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.731 -176.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -72.42 -15.33 61.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.773 0.797 . . . . 0.0 108.989 172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 71.6 mtm -121.11 114.08 20.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.515 170.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.57 24.23 0.28 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 114.994 0.757 . . . . 0.0 114.994 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' HG2' ' CE2' ' A' ' 2' ' ' TYR . 23.4 mtm-85 -90.86 -15.8 29.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 170.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.6 p -135.18 92.11 2.82 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.59 -25.73 0.06 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.983 -170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 51.3 tp -112.68 105.87 14.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.653 173.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CG2' ' HA3' ' A' ' 91' ' ' GLY . 82.5 mt -112.74 98.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-O 121.362 0.601 . . . . 0.0 109.872 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.957 HG13 ' H ' ' A' ' 52' ' ' HIS . 12.4 pt -72.72 -82.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.219 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.957 ' H ' HG13 ' A' ' 51' ' ' ILE . 32.7 t-80 -177.54 138.34 0.41 Allowed Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 7.3 Cg_endo -53.26 -172.11 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.625 0 C-N-CA 123.117 2.545 . . . . 0.0 112.295 171.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 28.6 ttm180 70.36 -44.68 0.58 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.129 -0.357 . . . . 0.0 111.74 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.4 mt -79.48 13.13 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.056 0.542 . . . . 0.0 111.594 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.52 -53.18 60.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.25 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.72 -30.21 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.471 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -74.5 -55.52 5.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.089 0.471 . . . . 0.0 111.071 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 t -60.57 -31.51 70.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.221 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 -23.21 64.37 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.1 m -71.75 -16.41 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.151 0.5 . . . . 0.0 111.026 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.2 mt -114.09 -48.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.16 137.13 47.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.16 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -83.03 127.22 70.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.613 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.13 133.04 22.26 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.561 2.174 . . . . 0.0 111.411 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.44 3.49 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.223 0.535 . . . . 0.0 111.002 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 22.7 t -162.03 -130.16 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.461 -176.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.21 -46.2 0.07 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.9 -1.045 . . . . 0.0 109.255 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pt -150.0 141.03 16.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.104 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -125.91 104.95 8.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' CYS . 16.8 p -89.73 139.41 30.6 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.905 -174.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 50.8 t 167.26 124.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.964 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -70.15 61.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 112.669 -173.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -128.0 -45.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.696 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.489 ' CE2' HG21 ' A' ' 26' ' ' THR . 0.8 OUTLIER -81.54 81.4 7.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 -179.523 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -58.87 -54.91 41.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' OD1' ' HD2' ' A' ' 53' ' ' PRO . 40.0 m-80 60.87 -85.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.025 0.53 . . . . 0.0 112.223 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 81.5 t80 -174.63 -60.79 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 3.7 Cg_exo -78.23 -38.97 0.49 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.387 2.058 . . . . 0.0 113.379 -168.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 87' ' ' HIS . 0.6 OUTLIER 45.68 116.85 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -175.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 45.8 t80 -120.77 124.19 44.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 113.637 -1.619 . . . . 0.0 109.504 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.911 ' H ' ' HA ' ' A' ' 86' ' ' THR . 1.9 tm? -75.47 152.05 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.644 ' N ' HD13 ' A' ' 82' ' ' LEU . . . -68.27 62.69 0.4 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 119.765 -1.207 . . . . 0.0 111.146 167.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.81 -78.12 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' H ' HD12 ' A' ' 82' ' ' LEU . 2.3 mp0 -79.29 -148.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 170.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.911 ' HA ' ' H ' ' A' ' 82' ' ' LEU . 4.3 t -135.69 92.6 2.84 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.944 -0.473 . . . . 0.0 111.54 174.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' NE2' ' HG ' ' A' ' 82' ' ' LEU . 29.1 p80 -170.53 13.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HB2' HD22 ' A' ' 82' ' ' LEU . 43.5 tt0 -96.21 132.46 41.63 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.768 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 0.6 OUTLIER -60.11 131.64 51.47 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -151.05 162.15 41.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.025 -172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 50' ' ' ILE . . . -150.4 179.74 26.88 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.525 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -111.03 114.79 53.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.503 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 34.9 Cg_exo -62.2 123.98 13.5 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.462 2.774 . . . . 0.0 113.736 -178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 56.0 m80 -123.47 169.0 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.11 172.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.55 158.31 24.4 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.865 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 102' ' ' LEU . 35.5 m-85 -144.2 -168.31 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.654 0.264 . . . . 0.0 110.625 -170.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.9 m -153.76 17.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.0 m -154.3 142.53 20.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.548 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 99' ' ' ARG . 36.4 mtp-105 -60.36 -57.78 11.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 6.9 tp -60.63 -30.94 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.334 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.2 -56.42 22.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 96' ' ' PHE . 37.9 tp -59.7 -41.91 91.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -58.15 -51.84 68.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.421 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 14.0 ptm180 -70.14 -26.55 64.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.61 -177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.447 ' HD2' ' CE1' ' A' ' 96' ' ' PHE . 20.8 m-30 -74.59 -37.54 62.86 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.682 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 97.3 mt -60.18 -44.17 95.27 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 7.9 t30 -53.31 -58.65 6.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.178 -1.373 . . . . 0.0 110.997 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.15 -54.32 21.42 Favored Glycine 0 CA--C 1.522 0.489 0 CA-C-N 115.277 -0.874 . . . . 0.0 113.989 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.8 tp -60.67 -55.6 31.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.786 0.326 . . . . 0.0 111.841 -172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -85.96 -53.14 5.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.73 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.89 51.54 39.48 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.827 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 N--CA 1.428 -1.565 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -176.282 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 95.6 m-85 -130.12 -161.71 1.14 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.8 mt -120.15 138.54 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 7' ' ' GLU . 56.1 mtt85 -62.84 154.14 76.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.52 -51.38 9.33 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.05 1.834 . . . . 0.0 111.008 175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.4 p-10 -61.87 -32.51 72.87 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 4' ' ' ARG . 8.0 tp10 -64.96 -43.32 93.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 4' ' ' ARG . 86.5 t -59.45 -41.27 84.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.261 176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.98 81.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.177 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 80.3 mtt180 -59.72 -48.86 80.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.77 -42.31 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.706 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 96.9 mt -59.21 -55.52 33.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.008 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 34.4 mt-10 -60.43 -31.33 70.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.772 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 20.0 tptm -65.53 -42.39 92.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.438 0.637 . . . . 0.0 109.968 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.34 -12.65 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.894 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.71 4.91 27.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.541 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 32.1 m-85 -75.85 153.83 36.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.655 0.264 . . . . 0.0 110.813 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.0 p -136.74 150.5 48.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.274 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.449 HG21 HG12 ' A' ' 22' ' ' VAL . 9.9 p -83.65 144.04 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . 21.5 t70 -105.66 -62.03 1.42 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.808 177.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' HA3' ' A' ' 28' ' ' GLY . 13.1 p -110.84 143.69 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.935 177.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 HG21 ' A' ' 19' ' ' VAL . 2.7 m -125.72 128.08 71.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.599 0.714 . . . . 0.0 110.065 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.6 p -129.81 155.46 45.94 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 172.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -66.67 -13.64 61.49 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.682 -178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -87.96 -33.54 18.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.014 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.2 t -165.52 149.58 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -173.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 16.4 m-30 -103.03 121.3 42.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.732 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -86.41 100.61 2.54 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.326 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 6.0 m-85 -93.96 143.58 26.23 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.731 0.3 . . . . 0.0 111.303 -175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HD3' ' HB2' ' A' ' 20' ' ' ASP . 33.4 ptt180 -136.77 146.45 45.75 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 112.046 -174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 23.4 ttp85 -173.51 97.52 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.818 167.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.55 -132.72 11.31 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.15 4.45 53.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.424 0.631 . . . . 0.0 109.535 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.9 98.5 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.842 -177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 9.5 t80 -112.6 103.56 11.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.92 147.69 12.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.952 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -109.0 114.1 27.56 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.052 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 61.7 t -88.28 104.44 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -62.52 112.12 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.444 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -77.96 -16.25 58.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.355 -177.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -93.62 7.52 44.39 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.313 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.51 70.23 7.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.98 -14.61 61.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.685 -171.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.6 mmt -102.66 3.62 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.277 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.63 22.35 75.17 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.538 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -79.63 -53.26 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.447 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.7 p -112.1 36.86 3.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -47.98 68.61 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -170.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 51' ' ' ILE . 40.1 tp -100.75 119.08 38.09 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.361 -0.535 . . . . 0.0 112.064 -171.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG13 ' CE2' ' A' ' 75' ' ' TYR . 11.5 mm -110.25 120.08 60.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 2.8 pp -110.66 25.38 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -169.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 44.7 t-80 73.27 144.84 0.11 Allowed Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 123.164 0.29 . . . . 0.0 111.047 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 32.2 Cg_exo -59.31 -166.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.728 2.285 . . . . 0.0 112.634 172.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 22.3 ttt85 71.49 -51.6 0.69 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.269 0.628 . . . . 0.0 111.344 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.9 mt -79.16 26.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.819 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -60.23 -71.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.226 0.329 . . . . 0.0 110.912 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -69.22 -28.21 66.16 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.189 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -58.59 -57.94 10.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.123 0.487 . . . . 0.0 109.821 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 t -61.52 -34.77 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.831 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -60.3 -24.86 65.31 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.5 m -76.94 -6.39 52.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.052 0.453 . . . . 0.0 110.969 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -119.74 -59.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.195 0.522 . . . . 0.0 110.178 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.69 114.69 13.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 33.8 t70 -66.72 132.96 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.9 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 50.9 Cg_exo -54.34 147.31 46.88 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.074 2.516 . . . . 0.0 113.094 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.4 12.0 9.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.617 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 13.6 t -174.26 -116.99 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -173.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -157.45 -66.83 0.1 Allowed 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.63 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 pt -136.89 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.793 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.4 tttp -127.72 107.97 10.34 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.294 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 p -88.38 131.42 34.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.205 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.6 p -164.61 -171.31 2.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -107.27 -53.2 2.65 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -64.68 -17.15 63.82 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CE2' HG13 ' A' ' 50' ' ' ILE . 1.9 m-30 -80.57 42.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.036 0.445 . . . . 0.0 110.236 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.636 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 13.6 pt20 -75.52 -7.43 54.15 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -170.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -77.23 -1.29 28.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.211 0.529 . . . . 0.0 110.041 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 13.9 m-30 -98.08 147.58 33.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.52 177.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -47.79 -21.04 2.21 Favored 'Trans proline' 0 N--CA 1.481 0.757 0 C-N-CA 124.762 3.641 . . . . 0.0 115.366 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.7 tt 76.28 133.36 0.05 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.495 0.664 . . . . 0.0 110.423 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' HB2' ' CD1' ' A' ' 90' ' ' TYR . 68.5 t80 -84.49 113.39 21.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.585 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.14 98.08 8.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.815 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -99.79 -127.34 5.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.95 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.66 -88.24 2.0 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.092 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -83.97 -69.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 t -86.04 124.88 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.228 0.537 . . . . 0.0 110.378 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.547 ' HB3' HD21 ' A' ' 80' ' ' LEU . 5.4 m170 -111.73 133.9 53.65 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -126.59 155.43 42.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.584 0.23 . . . . 0.0 110.388 -172.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 87.1 m-70 -83.52 112.83 20.34 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 18.5 p90 -100.56 140.9 34.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.189 0.519 . . . . 0.0 111.755 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.86 15.92 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mt -114.09 110.39 48.54 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 117.502 0.651 . . . . 0.0 110.498 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.541 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 37.0 Cg_exo -62.26 137.36 65.37 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.278 2.652 . . . . 0.0 112.771 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -137.05 170.01 16.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.301 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.1 158.86 25.81 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 102' ' ' LEU . 45.1 m-85 -137.24 -157.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.788 0.328 . . . . 0.0 110.235 -170.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.1 m -152.57 11.2 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.246 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.9 t -169.6 134.52 1.42 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.861 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -61.03 -46.16 91.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.196 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -57.2 -34.58 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.747 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.92 84.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.919 0.39 . . . . 0.0 109.968 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 96' ' ' PHE . 41.8 tp -60.14 -39.67 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.331 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -58.34 -43.32 88.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.6 mtp180 -70.01 -36.74 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.701 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -69.6 -37.04 76.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.087 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 96.6 mt -60.13 -39.45 86.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.286 0.565 . . . . 0.0 109.56 173.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -67.25 -29.83 69.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.718 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.6 -44.58 4.54 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.138 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.49 -46.1 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -174.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.3 -23.29 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.91 50.3 0.78 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.217 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 . . . . . 0 N--CA 1.422 -1.866 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 99.0 m-85 -134.79 -179.96 5.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.998 0.428 . . . . 0.0 110.625 174.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG2' ' A' ' 7' ' ' GLU . 93.7 mt -104.36 129.89 52.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.365 175.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 29.8 mmt-85 -71.19 159.76 84.56 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 10.2 Cg_endo -52.81 -44.44 48.16 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.84 2.36 . . . . 0.0 112.592 -178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.12 -39.28 85.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.594 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' HG2' HD22 ' A' ' 3' ' ' LEU . 19.1 tp10 -63.57 -51.16 66.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.885 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.55 -45.38 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.05 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -59.69 -45.0 93.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.345 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.95 -36.48 79.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.175 -179.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 7' ' ' GLU . 59.5 t -66.25 -43.67 91.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.532 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.12 -46.28 90.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.363 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.46 -42.25 77.87 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.162 -0.927 . . . . 0.0 111.049 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 9.47 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.958 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.55 31.45 15.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.174 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -94.6 163.74 13.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.342 . . . . 0.0 111.098 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 157.02 40.32 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.015 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 p -82.96 147.65 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 36.2 t70 -119.23 -61.71 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.047 0.451 . . . . 0.0 110.423 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -126.38 111.79 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.473 0.654 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 p -96.48 95.07 4.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.738 0.78 . . . . 0.0 111.501 -176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -97.78 147.98 23.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -72.07 3.79 4.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.587 . . . . 0.0 110.966 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.61 -11.12 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 0.0 110.163 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 5.2 m -164.15 126.27 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.459 -169.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 57.7 m-85 -90.29 105.73 18.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.375 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.71 115.68 5.7 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.64 138.56 53.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.681 0.277 . . . . 0.0 110.651 -172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.4 ptt180 -148.87 157.84 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.562 0.696 . . . . 0.0 111.932 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -145.46 83.07 1.66 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 174.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.07 -125.4 8.91 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -89.43 15.55 9.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.374 . . . . 0.0 111.256 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.5 m120 -90.4 86.95 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' A' ' 52' ' ' HIS . 97.0 m-85 -98.73 120.74 39.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.512 -175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG12 HG22 ' A' ' 51' ' ' ILE . 18.2 m -136.49 160.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.304 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 98.2 m-85 -136.08 114.04 11.28 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 19.3 t -82.62 107.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.8 0.333 . . . . 0.0 110.3 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.4 t-20 -77.0 112.37 13.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 40' ' ' ARG . 44.1 mtp180 -73.56 -10.79 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.33 0.586 . . . . 0.0 109.8 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.54 16.81 6.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -72.57 97.69 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -48.86 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.79 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -92.2 -7.25 48.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.118 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . 91.64 -0.95 74.68 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -171.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -64.88 -30.15 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.09 -0.555 . . . . 0.0 111.789 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -120.43 34.52 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.328 . . . . 0.0 111.348 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.74 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 43.8 tp -92.24 98.65 11.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.037 0.446 . . . . 0.0 111.785 -172.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 15.1 mm -91.77 143.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG22 HG12 ' A' ' 36' ' ' VAL . 35.5 pt -127.41 166.22 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.922 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 35' ' ' TYR . 24.5 t-80 -63.15 142.06 97.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.579 172.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 22.3 Cg_exo -57.47 -166.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.938 2.426 . . . . 0.0 112.93 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 34.9 ttm180 70.62 -43.71 0.56 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.971 0.508 . . . . 0.0 112.204 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.62 12.05 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.24 -49.87 75.9 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.305 -174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.86 -53.4 57.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.891 0.377 . . . . 0.0 110.781 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -52.55 -47.65 66.64 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.596 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.1 t -60.85 -50.42 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.156 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 p -60.83 -26.38 67.29 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.6 t -65.22 -25.35 67.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.376 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 109' ' ' LEU . 87.4 mt -97.2 -52.94 3.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.973 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . . . -149.61 119.18 6.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.741 177.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -62.82 151.16 85.7 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.625 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.2 142.4 91.6 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.814 2.342 . . . . 0.0 111.504 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.98 -30.16 64.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.319 0.581 . . . . 0.0 110.649 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -140.93 -165.3 1.92 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.0 -78.6 0.09 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.5 pt -152.88 151.99 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.021 -0.991 . . . . 0.0 108.571 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 60.5 tttt -98.42 109.52 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.228 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.546 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -89.7 120.25 30.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.822 177.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 49.2 t -179.54 144.73 0.22 Allowed 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -174.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -76.16 69.97 2.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.564 0.697 . . . . 0.0 111.217 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 65.2 m-70 -142.56 -40.92 0.33 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.241 172.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -100.17 74.82 1.79 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.177 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HB3' ' ND1' ' A' ' 89' ' ' HIS . 17.6 pt20 -80.57 -41.78 23.47 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.203 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.65 -90.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.297 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 48.5 m-85 -157.14 -50.84 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.516 -173.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 5.6 Cg_exo -79.39 -45.93 0.1 Allowed 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.181 1.92 . . . . 0.0 113.926 -170.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.65 142.43 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 2.7 t80 -60.65 146.47 45.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 110.677 -175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.74 -99.02 0.43 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.7 -141.2 28.48 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.152 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.6 -0.21 34.62 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.86 -22.99 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.122 -0.539 . . . . 0.0 111.518 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.2 p 69.84 80.33 0.18 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.697 169.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.654 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 95.0 m-70 62.81 -164.38 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.668 -1.151 . . . . 0.0 113.054 171.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 27.9 tt0 95.44 112.91 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.855 1.662 . . . . 0.0 107.862 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.526 ' ND1' ' HB3' ' A' ' 76' ' ' GLN . 7.3 m170 -53.85 123.91 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.665 -168.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.8 p90 -128.57 154.55 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.292 0.568 . . . . 0.0 112.1 -170.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.35 156.63 27.07 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 92' ' ' ILE . 4.3 mp -89.67 118.24 68.83 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.335 0.567 . . . . 0.0 110.651 -176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 50' ' ' ILE . 97.4 Cg_endo -82.11 142.78 12.42 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.321 2.68 . . . . 0.0 113.441 -177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 72.5 m80 -139.42 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.258 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.66 25.32 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 86.8 m-85 -139.61 -150.69 0.34 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.6 m -152.93 -37.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.9 m -112.39 131.38 55.57 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.344 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -60.7 -33.74 73.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.153 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -61.0 -33.64 56.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.404 177.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.26 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 58.1 tp -63.52 -38.22 90.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.184 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 104' ' ' ARG . 11.7 ptm85 -63.32 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 63' ' ' ALA . 59.7 t80 -60.86 -47.84 84.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.596 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 87.0 mt -60.27 -32.96 71.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.066 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -67.5 -46.89 71.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.08 39.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.848 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.407 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.1 tp -80.22 -47.18 15.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -104.03 -0.5 28.72 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -112.93 56.22 0.48 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 CA--C 1.508 -0.665 0 CA-C-O 122.441 1.115 . . . . 0.0 111.052 -172.038 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -79.03 162.72 25.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.904 0.383 . . . . 0.0 110.391 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.81 124.26 32.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.101 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -70.59 158.43 87.84 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.2 Cg_endo -51.62 -38.59 65.83 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.944 2.429 . . . . 0.0 111.499 174.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.59 -43.61 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.96 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.559 ' OE2' ' HD3' ' A' ' 99' ' ' ARG . 19.4 tp10 -71.46 -42.45 68.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.151 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.82 -52.89 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.38 -37.85 82.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 33.9 ttm-85 -60.85 -42.5 97.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.99 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 56.1 t -66.75 -34.04 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.653 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.92 -39.11 84.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.658 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 29.9 mt-10 -54.65 -53.21 57.72 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.508 0.67 . . . . 0.0 109.443 174.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 11' ' ' VAL . 7.0 mttp -61.09 -36.56 80.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.011 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.68 -10.9 59.04 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.41 10.1 34.46 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.011 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.49 171.06 13.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.154 0.502 . . . . 0.0 111.784 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -137.37 169.48 17.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.916 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.29 151.19 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.201 0.524 . . . . 0.0 111.294 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -116.97 -65.51 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.287 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.7 p -134.65 117.18 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.503 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.4 127.04 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.034 0.445 . . . . 0.0 110.717 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.8 p -134.46 169.38 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 27.6 p-10 -63.76 -14.78 55.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.329 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.32 -10.72 12.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.8 p -147.82 161.23 41.69 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 76.7 m-85 -123.51 99.23 6.21 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.383 164.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.15 125.83 25.05 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -130.15 142.84 50.55 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.824 0.345 . . . . 0.0 110.711 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -151.16 157.26 42.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.977 0.417 . . . . 0.0 111.459 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' A' ' 31' ' ' ARG . 42.0 ttp85 -149.77 71.73 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.323 170.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.69 -124.92 8.27 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.074 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.55 -3.89 58.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 111.465 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -96.92 130.4 44.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.95 0.405 . . . . 0.0 110.203 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -130.74 136.86 49.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.116 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 25.7 m -136.43 157.84 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 123.407 0.442 . . . . 0.0 110.024 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -123.51 117.3 24.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 39.1 t -82.73 119.2 31.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 2.6 t-20 -75.13 101.31 4.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 31.2 ttt180 -69.8 -22.37 63.32 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.23 0.538 . . . . 0.0 109.998 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 39' ' ' ASN . 59.2 mm-40 -85.51 5.79 29.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.935 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 39' ' ' ASN . . . -79.33 68.35 5.3 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.269 0.557 . . . . 0.0 111.556 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -82.17 -1.62 49.57 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.613 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 59.2 mtt -89.26 -24.69 22.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.843 174.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.75 -29.86 3.63 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.855 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -70.62 -22.23 62.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -119.73 21.33 12.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.662 0.267 . . . . 0.0 111.43 -171.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.34 -31.48 67.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 58.0 tp -111.53 89.87 3.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.459 0.647 . . . . 0.0 110.495 -174.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.71 HG12 ' HA ' ' A' ' 93' ' ' PRO . 71.6 mt -99.67 87.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.94 HG13 ' H ' ' A' ' 52' ' ' HIS . 16.8 pt -62.74 -84.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.488 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.94 ' H ' HG13 ' A' ' 51' ' ' ILE . 59.1 t-80 -178.47 144.76 0.48 Allowed Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -173.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 10.8 Cg_endo -58.18 -164.47 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.553 2.168 . . . . 0.0 111.767 169.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 38.4 ttt180 71.71 -52.59 0.69 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.949 0.404 . . . . 0.0 111.08 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.28 16.23 13.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -51.93 -54.27 31.37 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -64.53 -50.31 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 58' ' ' ARG . 8.3 tpt180 -55.49 -48.25 74.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.155 0.502 . . . . 0.0 110.559 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -60.97 -47.51 86.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.441 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -60.47 -31.9 70.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.387 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -67.22 -19.41 65.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -98.67 -44.35 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.178 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.94 131.35 11.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.434 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.1 p-10 -71.78 145.47 89.56 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.171 -177.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 5.8 Cg_exo -78.15 160.41 29.79 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.077 2.518 . . . . 0.0 111.8 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -19.36 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.101 0.477 . . . . 0.0 110.826 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -154.84 -172.1 4.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.473 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -80.4 -79.45 0.15 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.311 0.577 . . . . 0.0 109.622 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.1 pt -138.1 144.71 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.244 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 50.1 tttm -109.53 114.71 28.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 22.9 p -83.65 130.86 34.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.666 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' HIS . 45.8 t 179.6 127.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -48.23 -16.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -92.22 5.1 51.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.538 ' C ' ' HB3' ' A' ' 89' ' ' HIS . 29.9 m-85 -127.1 77.48 1.74 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.384 0.538 . . . . 0.0 112.025 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HB3' ' CD2' ' A' ' 89' ' ' HIS . 7.2 pt20 -69.86 -47.37 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.681 -0.637 . . . . 0.0 111.473 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 66.23 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.708 0.63 . . . . 0.0 110.848 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' HB2' ' HD3' ' A' ' 79' ' ' PRO . 6.8 m-85 -162.82 -58.87 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.49 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 78' ' ' PHE . 3.8 Cg_exo -81.23 -40.24 0.17 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.288 1.992 . . . . 0.0 113.891 -171.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 88.4 mt 68.26 154.45 0.11 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.099 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 60.1 t80 -66.58 104.49 1.29 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -81.5 83.63 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.285 0.564 . . . . 0.0 110.096 -176.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.56 161.1 12.99 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.95 -27.67 72.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.74 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -95.62 -61.98 1.37 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 121.503 0.668 . . . . 0.0 110.594 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.08 51.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.309 -169.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 81' ' ' TYR . 9.4 m-70 -99.8 87.38 3.52 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 7.0 tp10 -99.73 144.81 28.36 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.319 -169.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 72' ' ' CYS . 2.8 m80 -75.04 120.05 20.04 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -133.0 143.15 49.25 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.339 -0.545 . . . . 0.0 111.505 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.52 168.28 24.74 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.465 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 47.5 mt -100.46 112.7 64.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 117.131 0.465 . . . . 0.0 110.692 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 50' ' ' ILE . 8.7 Cg_exo -72.14 126.31 11.66 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.413 2.742 . . . . 0.0 113.449 -175.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 40.3 m80 -126.05 174.78 8.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.36 161.43 29.67 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.635 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -144.13 -168.94 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.492 -173.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -153.12 15.84 0.54 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.058 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -150.83 124.53 9.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.943 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 21.8 mtm180 -60.54 -49.96 75.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.7 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.6 tt -60.26 -29.9 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.83 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.05 89.6 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.795 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.1 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.148 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -57.15 -59.58 4.88 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.627 176.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -63.95 -29.45 70.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.04 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.08 -51.79 66.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.97 -36.09 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.592 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 24.8 m-80 -66.76 -35.59 80.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.613 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.55 -34.87 18.39 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.619 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.55 -57.01 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.56 0.219 . . . . 0.0 111.367 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -101.01 1.68 39.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.705 0.288 . . . . 0.0 111.487 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -87.18 -6.01 79.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.408 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 123.242 1.496 . . . . 0.0 109.592 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.551 ' O ' ' HA ' ' A' ' 97' ' ' SER . 92.4 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.56 -171.9 2.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.6 mt -111.8 120.74 43.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.877 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 34.2 mtm105 -67.39 162.13 58.63 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.834 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 9.8 Cg_endo -51.9 -47.69 25.28 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.2 2.6 . . . . 0.0 112.379 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 6.2 p-10 -60.69 -36.96 80.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.079 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.0 tp10 -65.85 -44.29 85.93 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.245 0.545 . . . . 0.0 110.046 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.92 -42.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.264 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -60.02 -39.79 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.007 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 77.2 mtp180 -56.72 -45.98 81.57 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.409 HG21 HD23 ' A' ' 102' ' ' LEU . 47.2 t -66.58 -39.05 82.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.598 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.85 -39.51 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.406 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 46.9 mm-40 -57.48 -41.8 81.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.956 0.408 . . . . 0.0 110.506 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -58.46 -45.42 88.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.564 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.12 -3.01 14.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.325 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.57 34.76 12.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.765 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' ' HD2' ' A' ' 29' ' ' TYR . 17.2 m-85 -89.25 165.72 14.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.48 . . . . 0.0 112.101 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 p -145.95 145.34 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.607 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.4 p -79.29 123.07 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.918 0.389 . . . . 0.0 110.824 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 6.8 p-10 -89.87 -34.41 16.11 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.959 -0.463 . . . . 0.0 109.991 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.599 HG12 ' HA3' ' A' ' 28' ' ' GLY . 12.0 p -141.7 130.64 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 121.241 0.544 . . . . 0.0 110.911 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -115.59 115.46 49.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.399 0.618 . . . . 0.0 110.738 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 p -131.37 155.91 46.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.84 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 2.1 m-20 -59.08 -21.58 59.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -87.18 -35.36 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.262 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 9.2 t -167.85 152.12 6.45 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 111.863 -171.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 97.5 m-85 -99.98 113.64 26.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.8 173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.599 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -74.17 124.4 8.32 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 173.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' HD2' ' HB3' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -119.38 108.1 14.17 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.443 0.639 . . . . 0.0 111.142 -173.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.4 ptt-85 -103.54 154.71 19.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.018 -174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -161.83 88.57 0.7 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 171.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 -127.33 9.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -95.88 7.05 47.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.285 0.564 . . . . 0.0 110.054 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.04 99.84 12.8 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.58 124.48 50.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.228 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.6 171.31 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 76' ' ' GLN . 96.9 m-85 -136.53 133.97 37.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.89 0.376 . . . . 0.0 110.351 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.4 t -99.37 111.73 29.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -65.94 106.7 1.64 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.028 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 45.9 ttt-85 -73.62 -20.49 60.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.367 0.603 . . . . 0.0 109.889 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -86.35 8.19 22.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.777 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.92 64.3 4.72 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.077 0.465 . . . . 0.0 110.907 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -24.88 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.045 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.0 mtt -80.08 -23.4 41.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.723 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.71 8.68 82.03 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.546 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -102.11 -7.78 21.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 110.73 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -129.98 26.05 5.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.55 -54.23 15.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -170.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.3 tp -88.87 110.32 20.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.014 0.435 . . . . 0.0 111.673 -173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 93' ' ' PRO . 25.7 mm -103.09 125.1 57.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' HE1' ' A' ' 94' ' ' HIS . 30.2 pt -111.96 167.34 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.264 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.62 137.69 96.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.072 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' C ' ' H ' ' A' ' 55' ' ' LEU . 10.5 Cg_endo -55.75 -167.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.516 2.811 . . . . 0.0 112.871 172.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 48.0 ttm-85 71.85 -27.98 0.18 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.513 0.673 . . . . 0.0 110.663 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' A' ' 53' ' ' PRO . 45.5 mt -94.04 15.46 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.899 -176.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -59.78 3.76 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.287 0.565 . . . . 0.0 111.232 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.89 -42.88 76.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.744 -170.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -60.02 -49.69 76.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.493 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 t -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.843 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.6 p -60.63 -22.67 64.06 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -72.22 -24.0 61.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.198 0.523 . . . . 0.0 110.352 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -109.43 -65.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.792 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.8 113.41 22.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.263 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.91 130.63 89.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.009 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.2 148.49 55.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.823 2.349 . . . . 0.0 112.278 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.648 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 5.7 m -78.65 -76.99 0.18 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.09 0.948 . . . . 0.0 110.474 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 92' ' ' ILE . 3.9 t70 168.39 -62.23 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.676 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 pt -137.72 151.1 25.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 113.931 -1.486 . . . . 0.0 109.047 174.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -126.52 113.5 16.87 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 32.9 p -87.21 138.17 31.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 54.1 t 174.92 118.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 1.067 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 49.1 m-20 -75.06 36.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -171.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -114.12 -21.0 10.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.733 171.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.7 m-85 -96.97 90.04 5.05 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 2.3 pp0? -63.65 -69.42 0.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.649 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.0 m-80 64.52 -23.01 0.07 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HB3' ' O ' ' A' ' 77' ' ' ASN . 91.1 t80 101.86 -56.62 0.0 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 C-N-CA 125.497 1.519 . . . . 0.0 114.363 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.649 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 12.8 Cg_exo -72.05 13.24 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 123.208 2.606 . . . . 0.0 114.625 -172.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -27.3 134.67 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -173.547 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . 12.7 t80 -54.8 133.87 47.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.511 -169.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.5 mt -71.95 -16.07 62.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.486 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.6 111.6 4.31 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.03 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.96 150.8 10.88 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.376 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.07 -52.45 65.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.301 0.572 . . . . 0.0 111.286 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.4 t -79.18 -11.75 59.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.177 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 65.94 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.069 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 11.6 pt-20 -114.05 123.71 50.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.566 0.698 . . . . 0.0 110.994 -173.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 1.067 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 2.0 m80 -62.25 144.74 55.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.799 -1.092 . . . . 0.0 108.455 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' HD1' ' HA ' ' A' ' 80' ' ' LEU . 6.1 p90 -154.14 162.19 41.36 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.99 -174.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.88 -179.94 25.19 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' ' 68' ' ' ASP . 55.2 mt -105.85 118.13 56.0 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 117.565 0.683 . . . . 0.0 110.703 -178.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 50' ' ' ILE . 88.6 Cg_endo -78.94 141.58 16.86 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.353 2.702 . . . . 0.0 113.045 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' HE1' HG12 ' A' ' 51' ' ' ILE . 76.4 m80 -138.64 178.58 7.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.837 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.15 158.3 24.8 Favored Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 102' ' ' LEU . 68.1 m-85 -142.71 -154.28 0.51 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -170.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 1' ' ' MET . 30.8 p -154.02 -35.31 0.1 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.277 0.561 . . . . 0.0 109.844 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 19.3 m -108.57 135.62 49.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.182 176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.42 -44.1 96.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.552 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 tp -60.61 -32.3 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 98' ' ' SER . . . -59.26 -50.04 75.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.7 tp -58.27 -44.22 88.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.614 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.78 -56.06 24.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.775 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.612 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 5.6 ptm180 -70.51 -26.15 63.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.97 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -75.01 -39.12 61.36 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.156 -0.34 . . . . 0.0 111.573 177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.03 -40.03 87.92 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 171.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 25.5 t-20 -53.57 -58.84 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.162 176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.18 -26.77 71.47 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.385 -0.825 . . . . 0.0 113.72 -176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.0 tp -74.42 -51.81 13.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.0 0.4 . . . . 0.0 111.299 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -93.68 -40.4 10.27 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.446 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.76 63.77 3.52 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.106 -0.568 . . . . 0.0 113.244 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mmm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -122.02 -177.33 3.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.368 176.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.31 136.16 34.47 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.767 0.317 . . . . 0.0 110.576 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -69.5 152.25 96.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.645 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.54 -37.41 82.77 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.797 2.331 . . . . 0.0 111.363 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.45 -43.27 97.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.366 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.94 -39.21 76.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.546 -177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.27 -42.93 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.038 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.102 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -60.33 -39.66 87.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.621 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.19 -42.94 95.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 0.0 110.057 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.87 -37.65 82.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.992 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -57.05 -41.91 79.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.157 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -65.43 -42.21 92.68 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.549 0.69 . . . . 0.0 110.368 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.82 -9.95 42.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.258 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.3 9.1 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.381 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.86 171.99 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.899 0.38 . . . . 0.0 111.107 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p -139.74 144.8 37.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.451 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 9.5 p -79.32 135.92 24.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -112.61 -44.99 3.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.793 0.33 . . . . 0.0 110.647 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 21' ' ' VAL . 10.2 p -132.62 103.7 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-O 122.186 0.993 . . . . 0.0 111.897 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.48 122.31 51.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.328 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 168.23 19.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.153 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -67.01 -1.41 4.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 7.7 mtpm? -124.54 -16.91 6.16 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.766 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.8 p -146.18 161.76 39.51 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.466 0.65 . . . . 0.0 112.433 -174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.6 m-85 -127.77 98.55 5.21 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.025 167.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.648 ' HA2' ' CD1' ' A' ' 37' ' ' TYR . . . -66.17 131.77 33.2 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.664 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-85 -144.77 103.49 3.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.463 0.649 . . . . 0.0 111.605 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 35' ' ' TYR . 25.0 ptt180 -125.2 157.42 36.52 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.319 0.58 . . . . 0.0 111.499 -175.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -141.49 110.18 6.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.619 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.6 -125.36 20.08 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -169.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -104.72 15.05 28.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 0.0 109.974 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -90.25 106.36 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' CE1' ' HD2' ' A' ' 30' ' ' ARG . 74.4 m-85 -101.39 113.53 26.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.078 -173.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 29' ' ' TYR . 10.3 m -123.59 159.07 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 167.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.648 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 83.2 m-85 -142.93 113.0 7.12 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.831 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 60.9 t -71.89 128.35 34.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.499 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.83 111.24 19.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.105 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' HB3' ' C ' ' A' ' 25' ' ' LYS . 39.8 ttt180 -78.6 -4.6 49.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.563 0.696 . . . . 0.0 109.765 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.49 6.81 32.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.82 89.96 1.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 111.694 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -67.97 -36.76 80.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.865 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 55.8 mtt -93.43 -24.46 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.348 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -14.61 56.78 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.888 -170.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.74 -25.81 62.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.78 0.324 . . . . 0.0 111.327 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.5 p -111.95 27.56 9.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.454 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.12 -28.46 60.23 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.08 104.98 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.712 -174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' PRO . 19.6 mm -103.66 138.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.81 166.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.766 0.317 . . . . 0.0 110.455 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.64 141.03 98.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.644 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 26.2 Cg_exo -60.02 -166.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.49 2.127 . . . . 0.0 111.882 173.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 74.67 -38.24 0.38 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.272 0.558 . . . . 0.0 110.724 177.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 53' ' ' PRO . 8.4 mt -93.69 15.48 16.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.48 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.82 -47.43 85.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.925 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.23 -47.44 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.934 0.397 . . . . 0.0 111.003 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -62.09 -55.49 28.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.112 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 t -60.68 -40.62 92.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -60.34 -25.4 65.8 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -82.83 -3.69 57.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.458 . . . . 0.0 111.059 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.4 mt -121.44 -62.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.163 0.506 . . . . 0.0 110.441 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 130.22 47.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.351 -171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.3 t70 -62.22 122.6 73.9 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.784 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.0 Cg_exo -79.8 122.06 4.78 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.145 2.563 . . . . 0.0 111.383 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.76 -44.34 66.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.066 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.548 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 71.0 m -125.73 -105.4 0.34 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.809 0.814 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -158.42 -55.41 0.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.2 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -138.0 151.05 25.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.068 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 5.4 tppt? -127.95 116.36 19.96 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.877 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 88' ' ' GLU . 22.8 p -87.68 93.09 9.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.283 1.04 . . . . 0.0 111.635 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 89' ' ' HIS . 39.0 t -79.2 167.0 21.59 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.448 -175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -112.49 -0.25 15.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.031 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -123.61 -32.81 3.29 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -174.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.67 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 4.4 m-30 -76.07 70.24 2.73 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.289 0.495 . . . . 0.0 111.654 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.585 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.3 pt20 -75.76 -15.89 60.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.892 -0.505 . . . . 0.0 111.806 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -79.69 5.87 12.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.39 0.614 . . . . 0.0 111.034 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 11.4 m-30 -87.77 170.89 10.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.233 172.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.6 Cg_exo -51.24 -34.83 50.63 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.605 2.203 . . . . 0.0 112.623 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 76' ' ' GLN . 13.8 mt 69.9 124.82 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.693 0.797 . . . . 0.0 111.214 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.685 ' HB3' ' HG2' ' A' ' 88' ' ' GLU . 21.9 t80 -78.34 144.42 36.04 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.891 -175.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -110.86 87.7 2.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.93 13.39 63.66 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.754 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 85' ' ' GLU . . . 87.15 114.76 1.01 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 84' ' ' GLY . 34.7 tt0 69.08 -61.99 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.466 0.706 . . . . 0.0 110.941 -174.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.7 t -65.91 138.9 58.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.413 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -127.39 78.97 1.86 Allowed 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.736 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.685 ' HG2' ' HB3' ' A' ' 81' ' ' TYR . 1.7 pm0 -76.31 137.43 39.87 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 121.869 0.842 . . . . 0.0 109.685 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.67 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 63.2 m-70 -90.68 85.52 6.1 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.871 -172.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.639 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 5.0 p90 -97.33 137.25 36.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.558 0.694 . . . . 0.0 112.499 -165.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.37 -179.79 16.92 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.981 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.0 mm -97.01 118.01 65.25 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.109 0.454 . . . . 0.0 110.719 -176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.548 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 6.1 Cg_exo -78.93 133.41 11.2 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.491 2.794 . . . . 0.0 113.38 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -136.02 174.55 10.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.115 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.72 158.23 24.1 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.661 -0.78 . . . . 0.0 111.972 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.45 -167.49 2.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -152.49 15.14 0.59 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.433 0.635 . . . . 0.0 110.466 -176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 m -153.94 130.1 10.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.404 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -60.51 -48.4 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.758 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -60.61 -32.1 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.044 -177.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -52.11 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 110.304 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 45.3 tp -55.18 -42.18 72.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.844 175.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -52.56 -52.13 56.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.769 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.2 mtp180 -70.07 -34.08 72.73 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -72.63 -33.98 67.01 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.194 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 95.9 mt -60.39 -40.6 91.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 171.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.605 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 84.6 m-20 -65.82 -33.94 77.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.49 -37.19 24.54 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.0 tp -80.19 -49.92 10.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -117.4 11.73 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -74.84 3.36 44.63 Favored Glycine 0 N--CA 1.46 0.252 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.787 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 CA--C 1.509 -0.627 0 CA-C-O 122.34 1.067 . . . . 0.0 109.906 175.61 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 1' ' ' MET . 44.3 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.536 0.684 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.814 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 96.5 m-85 56.82 -169.44 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.591 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -131.95 128.06 37.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.968 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 mtp-105 -64.25 152.13 89.1 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.1 -33.98 85.77 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.631 2.221 . . . . 0.0 111.501 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.43 -43.85 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.589 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' VAL . 14.6 tp10 -70.03 -41.9 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.429 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -57.81 -44.1 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.429 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.22 95.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.968 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -60.41 -37.05 79.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.684 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 7' ' ' GLU . 44.8 t -67.23 -42.94 88.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.616 176.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.96 -36.53 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.02 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.17 -46.78 79.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -6.94 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.524 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.88 31.78 7.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.833 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -90.07 164.38 14.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.196 0.522 . . . . 0.0 111.543 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.81 151.45 50.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.558 -176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.3 p -91.32 142.47 12.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.034 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -111.35 -51.13 2.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.25 0.548 . . . . 0.0 109.858 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 7.5 p -130.78 143.23 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.4 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.19 134.25 63.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.468 0.651 . . . . 0.0 110.237 173.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -131.04 157.96 41.62 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 172.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.97 -3.21 9.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.916 0.388 . . . . 0.0 111.345 -176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -119.87 -14.73 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.335 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 1.9 m -160.14 136.4 8.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 74.5 m-85 -99.32 112.33 24.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.376 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -77.98 85.59 1.1 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -92.02 149.51 21.49 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 122.395 0.278 . . . . 0.0 110.793 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 22.9 ptt85 -157.78 159.88 37.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.215 0.531 . . . . 0.0 111.541 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -132.24 93.85 3.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.2 -121.44 6.51 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -168.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -101.59 19.7 17.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.394 0.597 . . . . 0.0 110.434 173.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.8 m120 -90.09 91.37 8.52 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -92.12 128.15 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.706 -172.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 m -133.58 117.4 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.148 173.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -90.31 107.44 19.14 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.662 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.8 t -77.1 114.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.349 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.41 105.68 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.198 0.523 . . . . 0.0 109.883 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.44 -10.5 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.015 -178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -86.12 1.54 50.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.777 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.1 85.81 0.74 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.073 0.463 . . . . 0.0 111.729 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 43' ' ' ARG . 4.0 mmp_? -67.6 -39.74 84.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.549 177.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.0 mtt -98.66 0.99 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.35 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.15 25.28 68.03 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.028 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -32.38 18.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 p -120.0 25.05 10.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.59 -31.82 73.11 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -114.98 108.69 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 111.287 -173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 93' ' ' PRO . 83.1 mt -114.25 122.26 68.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.324 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.7 pt -105.83 173.42 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.462 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -67.3 120.09 69.89 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.872 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -38.87 -50.15 2.59 Favored 'Trans proline' 0 N--CA 1.477 0.539 0 C-N-CA 124.806 3.671 . . . . 0.0 115.592 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -61.47 -20.06 62.72 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -172.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.14 11.88 7.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.065 0.459 . . . . 0.0 111.49 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -57.98 -39.6 78.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.911 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.3 -39.02 74.91 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.346 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -85.02 -38.72 18.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.422 . . . . 0.0 110.126 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t -60.59 -39.37 87.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.034 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 p -60.28 -23.85 64.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t -90.78 2.11 56.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.094 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.19 -54.18 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.09 0.471 . . . . 0.0 110.574 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.42 125.18 13.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.545 -178.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -68.97 153.21 96.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.25 144.5 91.77 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.487 2.125 . . . . 0.0 111.693 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.52 80.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.302 0.573 . . . . 0.0 110.447 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 t -127.39 -96.01 0.42 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.997 0.904 . . . . 0.0 109.929 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.77 -63.32 0.08 Allowed 'General case' 0 C--N 1.287 -2.145 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.341 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 pt -145.4 153.37 13.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.045 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -125.01 110.35 14.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 p -80.47 124.81 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.034 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 48.2 t 177.33 129.46 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.265 -173.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.833 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 69.3 m-20 -69.89 -5.72 27.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -69.18 -26.71 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 109.964 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -106.47 67.22 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.742 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.619 ' HA ' ' CD2' ' A' ' 89' ' ' HIS . 9.4 pt20 -69.2 -50.45 47.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.639 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 54.12 -102.73 0.15 Allowed 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 123.863 0.727 . . . . 0.0 109.477 -172.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 73.7 m-85 -156.55 -54.14 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.287 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.568 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 16.4 Cg_exo -34.32 -67.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 124.231 3.287 . . . . 0.0 114.799 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' HG ' ' CD2' ' A' ' 89' ' ' HIS . 0.9 OUTLIER 68.41 122.55 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.65 0.594 . . . . 0.0 109.816 -175.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -72.33 112.68 8.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.47 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.202 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.82 -84.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.508 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.35 -127.37 2.86 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.97 -51.71 7.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 p -77.69 138.88 39.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.101 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.503 ' HB3' HD22 ' A' ' 80' ' ' LEU . 16.9 m170 -113.91 160.66 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.659 0.266 . . . . 0.0 110.868 -173.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -139.83 130.93 26.39 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.833 ' HB2' ' HA ' ' A' ' 73' ' ' ASP . 72.1 m80 -71.88 146.66 47.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -143.76 157.83 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.81 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 165.76 25.91 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.89 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.9 mt -102.44 111.87 65.0 Favored Pre-proline 0 C--O 1.236 0.393 0 CA-C-N 117.222 0.511 . . . . 0.0 110.922 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HA ' HG12 ' A' ' 50' ' ' ILE . 63.5 Cg_endo -74.94 147.02 33.6 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.2 2.6 . . . . 0.0 113.424 -176.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -140.75 173.2 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.5 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.13 158.57 25.29 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.814 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 42.7 m-85 -141.1 -158.01 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -170.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.51 16.2 0.52 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -158.24 121.21 3.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.754 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.09 -37.34 82.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.568 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -61.33 -33.15 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.104 177.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.52 71.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.7 tp -56.79 -40.53 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.311 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -55.26 -50.24 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.216 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -64.51 -38.12 89.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.069 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -70.27 -40.64 74.22 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.949 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.6 mt -59.61 -41.76 91.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 173.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.489 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 43.1 m-20 -60.33 -31.76 70.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.994 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.64 -36.03 6.65 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.251 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.86 -46.47 15.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -123.75 4.19 8.84 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.638 0.256 . . . . 0.0 111.066 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -65.52 -47.27 79.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.151 -0.547 . . . . 0.0 114.115 -170.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -174.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' O ' ' HA ' ' A' ' 97' ' ' SER . 54.3 mtt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 84.6 m-85 -134.72 -174.71 3.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.099 169.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' C ' ' HD2' ' A' ' 4' ' ' ARG . 82.8 mt -103.57 -171.64 1.97 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.919 0.39 . . . . 0.0 110.45 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.524 ' HD2' ' C ' ' A' ' 3' ' ' LEU . 3.9 mpt_? -122.71 154.6 63.62 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 9.0 Cg_endo -51.36 -51.19 11.72 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.663 2.242 . . . . 0.0 111.605 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.38 -41.42 93.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.057 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' HB3' ' H ' ' A' ' 4' ' ' ARG . 10.8 tp10 -60.05 -42.58 94.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.855 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 90.6 t -60.95 -47.41 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.11 -39.49 86.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 51.2 ttt180 -58.96 -45.2 91.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.814 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' GLU . 62.1 t -69.13 -33.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 95.2 mt -60.37 -46.39 90.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.921 0.391 . . . . 0.0 110.345 174.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.69 -27.02 67.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -28.71 67.28 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 175.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.7 4.79 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.955 0.407 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 38.75 16.27 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.524 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -86.91 160.66 18.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 0.0 111.598 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.7 p -129.37 175.27 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' GLY . 10.0 p -108.72 141.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.778 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 17.5 p-10 -110.47 -35.79 5.94 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.008 0.432 . . . . 0.0 110.077 172.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.3 p -144.38 151.98 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.965 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.19 114.19 8.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.435 0.636 . . . . 0.0 110.704 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.0 p -125.83 157.77 36.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -73.91 -5.57 41.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.279 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -111.23 -11.81 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.832 0.348 . . . . 0.0 110.272 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -165.06 127.31 2.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.689 -172.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 34.5 m-85 -86.16 138.79 31.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.552 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -101.22 123.71 8.01 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 173.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -129.17 141.74 51.08 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.366 0.603 . . . . 0.0 111.244 -173.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 31.7 ptt180 -147.9 155.64 41.81 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.275 -175.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -154.09 90.1 1.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.223 172.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.54 -112.71 3.59 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.03 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -104.84 -9.63 17.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.197 0.522 . . . . 0.0 110.291 -177.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -94.11 135.56 35.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.392 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' HD1' ' HB3' ' A' ' 30' ' ' ARG . 86.4 m-85 -130.7 145.01 51.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.635 -175.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 51' ' ' ILE . 10.5 m -143.12 169.54 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 94.2 m-85 -138.6 144.26 39.7 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 30.0 t -113.66 117.37 55.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.881 0.372 . . . . 0.0 110.362 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' ' 39' ' ' ASN . 6.1 m120 -71.35 132.17 44.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.822 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -82.99 -9.46 59.27 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 108.862 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -91.89 9.12 34.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.141 -1.39 . . . . 0.0 110.351 -172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.26 83.9 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -85.48 -31.04 23.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.7 mtt -66.14 -33.91 76.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.558 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.84 5.1 68.8 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HA3' ' A' ' 95' ' ' GLY . 13.7 ttp180 -94.18 -64.12 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.584 -0.308 . . . . 0.0 110.949 -178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 p -73.08 31.1 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -38.99 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 tp -98.72 113.6 25.75 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.268 0.556 . . . . 0.0 112.298 -174.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 41.8 mm -102.69 137.84 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.607 172.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.482 HG12 ' HB ' ' A' ' 92' ' ' ILE . 40.5 pt -114.76 166.74 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.302 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.44 118.23 31.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.746 171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 86.1 Cg_exo -53.22 96.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.509 -0.75 0 C-N-CA 123.219 2.613 . . . . 0.0 112.002 174.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 53' ' ' PRO . 22.0 ttm180 170.85 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.424 0.631 . . . . 0.0 110.102 -173.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 109' ' ' LEU . 32.3 mt -89.22 29.86 1.03 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.649 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.79 -54.98 41.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -59.86 -57.82 11.23 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' HD13 ' A' ' 109' ' ' LEU . 33.6 ttm180 -58.4 -50.87 72.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -60.85 -44.68 96.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.0 t -60.75 -35.42 76.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 111.063 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -74.27 -11.51 60.29 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.034 0.445 . . . . 0.0 110.577 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.47 -48.77 3.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.251 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 138.69 53.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.921 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -73.62 121.07 84.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 5.1 Cg_exo -75.75 128.36 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.535 ' HB2' ' HG2' ' A' ' 46' ' ' ARG . . . -77.67 -9.87 59.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.584 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . 24.5 t -154.8 -120.67 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.011 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.6 -48.44 0.07 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.407 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 pt -143.76 137.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.75 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -124.79 113.75 18.35 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.308 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.523 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 59.5 p -93.42 141.7 28.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.34 . . . . 0.0 111.108 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 41.9 t -176.91 132.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.248 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -74.59 53.03 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.814 0.816 . . . . 0.0 111.146 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -131.44 -7.82 3.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.516 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 19.0 m-85 -105.64 71.51 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.588 0.708 . . . . 0.0 110.179 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.6 pt20 -78.86 18.76 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.041 -174.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.761 ' C ' ' HD2' ' A' ' 79' ' ' PRO . 3.1 t-20 -71.8 16.5 0.11 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -171.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' A' ' 80' ' ' LEU . 74.0 t80 101.76 -48.4 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.474 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 175.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.761 ' HD2' ' C ' ' A' ' 77' ' ' ASN . 10.1 Cg_endo -53.0 12.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 123.882 3.055 . . . . 0.0 116.592 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 89' ' ' HIS . 1.9 tm? -39.11 118.2 0.76 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.133 0.424 . . . . 0.0 110.412 173.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.61 119.99 16.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.448 -171.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.99 178.71 6.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.458 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.95 -87.09 0.14 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.634 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.79 3.35 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -92.01 -58.41 2.41 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.685 0.279 . . . . 0.0 111.315 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.2 p -82.15 118.97 23.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -109.9 134.91 51.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.523 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 20.0 tt0 -129.37 138.95 51.82 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.211 0.529 . . . . 0.0 109.839 -177.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.462 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 32.7 m-70 -78.74 142.17 37.26 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' HB3' HG22 ' A' ' 71' ' ' THR . 26.3 p90 -130.56 157.29 43.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.349 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.92 175.62 22.04 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 174.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.482 ' HB ' HG12 ' A' ' 51' ' ' ILE . 61.4 mt -110.73 116.07 52.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.208 0.504 . . . . 0.0 111.103 -177.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 67' ' ' SER . 62.4 Cg_endo -77.5 153.57 30.79 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.33 2.687 . . . . 0.0 112.938 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 79.8 m80 -141.82 -153.6 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.199 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.581 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -176.71 156.98 21.93 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 169.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 77.9 m-85 -145.64 139.64 26.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -175.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 1' ' ' MET . 4.9 m -85.45 -42.11 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.688 0.28 . . . . 0.0 111.38 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 p -128.83 158.39 38.84 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.012 0.434 . . . . 0.0 111.518 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.3 mtp-105 -60.7 -52.56 64.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.942 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.8 tp -60.19 -30.1 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.258 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.33 69.72 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 47.9 tp -57.67 -45.61 85.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.34 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -58.46 -41.03 84.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.946 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -66.86 -44.01 82.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.146 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -68.61 -35.16 76.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.779 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 98.8 mt -60.26 -42.88 96.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 109.778 172.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.34 -46.53 86.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.381 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.54 -41.04 13.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.336 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 58' ' ' ARG . 29.2 tp -79.91 -47.24 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -174.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -99.86 -15.33 18.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.511 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.79 96.29 0.26 Allowed Glycine 0 C--O 1.225 -0.442 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.825 173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.323 -0.565 0 CA-C-O 122.024 0.916 . . . . 0.0 110.607 179.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -57.46 133.58 55.32 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.368 0.418 . . . . 0.0 110.427 176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.05 132.79 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.531 -171.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.7 mtp180 -70.63 147.32 94.54 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.32 176.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 7.6 Cg_endo -50.31 -47.07 25.82 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.006 2.471 . . . . 0.0 112.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.34 -40.58 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.234 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.7 tt0 -69.88 -39.18 76.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.594 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.623 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 84.8 t -58.46 -49.35 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.63 82.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.772 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 ttp85 -60.24 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.271 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 7' ' ' GLU . 97.1 t -61.21 -44.75 98.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.517 0.199 . . . . 0.0 110.97 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 68.0 mt -58.44 -54.85 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.74 -39.9 90.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.841 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.76 -43.68 90.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.742 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.89 69.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.478 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.06 10.76 1.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.001 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.84 168.88 13.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.123 0.487 . . . . 0.0 111.007 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.97 150.25 46.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.943 -177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.34 145.82 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.043 0.449 . . . . 0.0 110.615 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 37.3 t70 -112.74 -70.63 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 23' ' ' THR . 3.7 p -120.8 100.9 9.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.746 0.784 . . . . 0.0 110.783 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.63 109.82 19.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.524 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 21' ' ' VAL . 40.0 p -116.88 164.27 14.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.295 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -76.9 2.63 14.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.448 0.642 . . . . 0.0 110.425 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 40' ' ' ARG . 93.6 mttt -119.47 -15.05 9.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.448 ' HA ' ' H ' ' A' ' 40' ' ' ARG . 1.4 m -167.47 140.66 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -168.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.587 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -101.09 98.76 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.055 174.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.11 130.18 24.21 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.347 -0.93 . . . . 0.0 110.802 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -133.03 149.67 52.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.874 0.337 . . . . 0.0 110.78 -173.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 21.1 ptt85 -154.15 170.38 21.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.371 0.605 . . . . 0.0 111.781 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -156.65 121.72 4.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.47 169.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.04 -109.7 3.05 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.775 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.78 12.79 12.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.755 0.312 . . . . 0.0 111.167 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -106.3 135.49 47.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.27 175.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.672 ' CE2' ' HD3' ' A' ' 30' ' ' ARG . 61.1 m-85 -124.93 139.8 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.387 -175.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.18 168.98 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.9 m-85 -132.98 127.48 34.29 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.09 -0.381 . . . . 0.0 110.871 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.587 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.9 t -96.62 115.19 35.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 5' ' ' PRO . 3.1 t-20 -69.95 105.23 2.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.095 0.474 . . . . 0.0 109.877 -179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -77.85 -22.23 50.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.652 -177.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 -86.45 9.27 18.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.135 176.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.73 93.46 1.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 109.795 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -86.29 -16.12 38.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.43 0.633 . . . . 0.0 109.777 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 39.4 mtt -78.72 -25.37 44.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.491 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.06 6.94 88.73 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -96.73 -67.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.68 -0.26 . . . . 0.0 110.987 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.8 p -75.05 29.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -172.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.44 -32.3 69.83 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -107.28 114.55 28.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.097 0.475 . . . . 0.0 111.492 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 93' ' ' PRO . 15.4 mm -111.57 131.87 61.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.902 173.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG12 ' CE1' ' A' ' 94' ' ' HIS . 29.5 pt -117.24 167.57 10.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.863 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -66.86 142.92 97.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.816 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 51.2 Cg_exo -56.55 -163.36 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 123.171 2.581 . . . . 0.0 112.917 171.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 29.8 ttt-85 73.89 -51.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.254 0.622 . . . . 0.0 110.586 -174.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.39 22.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.328 -175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -60.28 -47.11 87.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.96 -40.54 68.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -67.92 -48.04 67.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.143 0.497 . . . . 0.0 110.483 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.9 -37.07 80.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.375 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.8 m -60.61 -26.78 67.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 p -89.43 6.53 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.955 0.407 . . . . 0.0 111.203 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -118.87 -46.36 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.324 0.583 . . . . 0.0 110.171 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.91 177.7 8.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.4 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 p-10 -112.51 137.73 21.74 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.555 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.4 Cg_exo -74.73 140.26 26.04 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.765 2.31 . . . . 0.0 112.009 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.32 2.97 25.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.428 0.632 . . . . 0.0 110.413 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.551 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 26.1 t -167.71 -123.22 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.621 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.44 -64.0 0.1 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.208 177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.1 pt -133.62 132.95 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.697 173.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' HE2' ' A' ' 75' ' ' TYR . 87.4 tttt -116.14 109.58 17.67 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 173.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.479 HG22 ' HB3' ' A' ' 90' ' ' TYR . 3.4 p -82.23 138.34 34.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.4 t -164.34 163.92 22.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.437 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -82.35 -9.87 59.3 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.969 0.414 . . . . 0.0 111.0 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -110.63 8.87 22.92 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' HE2' ' HD3' ' A' ' 70' ' ' LYS . 21.5 m-30 -115.04 54.4 0.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HA ' ' CB ' ' A' ' 89' ' ' HIS . 16.4 pm0 -63.46 -55.8 21.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.486 HD22 ' HA ' ' A' ' 77' ' ' ASN . 2.2 m120 47.96 -99.5 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.132 0.27 . . . . 0.0 110.783 -168.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.665 ' H ' ' HD2' ' A' ' 79' ' ' PRO . 75.3 m-85 -151.31 -54.71 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.662 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.665 ' HD2' ' H ' ' A' ' 78' ' ' PHE . 48.7 Cg_exo -27.02 -75.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 125.024 3.816 . . . . 0.0 115.416 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 0.8 OUTLIER 66.79 128.1 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.475 0.655 . . . . 0.0 110.852 -176.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -93.18 107.4 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.1 mp -86.7 95.36 9.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.202 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -81.55 -164.79 33.74 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.801 175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.98 -39.28 13.39 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.063 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -90.96 -121.42 0.07 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.592 0.234 . . . . 0.0 110.415 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.3 p -78.71 130.67 36.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.985 0.421 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.402 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 11.9 m170 -78.22 144.73 36.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.953 -177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -131.24 136.8 48.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.139 0.495 . . . . 0.0 110.08 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.597 ' CB ' ' HA ' ' A' ' 76' ' ' GLN . 12.2 m-70 -86.86 143.97 27.21 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -172.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.479 ' HB3' HG22 ' A' ' 71' ' ' THR . 50.5 p90 -129.08 146.15 51.1 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.827 -173.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.48 175.82 19.13 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.153 171.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 51.1 mt -101.03 113.09 65.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 117.394 0.597 . . . . 0.0 111.216 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.551 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 8.2 Cg_exo -74.11 141.18 29.12 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.437 2.758 . . . . 0.0 112.962 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG12 ' A' ' 51' ' ' ILE . 70.0 m80 -132.43 -164.83 1.51 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.442 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.06 158.48 24.19 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -145.23 -176.67 5.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.163 0.506 . . . . 0.0 111.018 -175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 p -153.39 11.46 0.45 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.141 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.2 m -148.35 128.27 13.53 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.594 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -60.06 -43.41 95.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.745 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 16.1 tt -60.83 -30.29 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.555 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.72 94.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.32 -36.3 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.07 175.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.72 -56.34 23.44 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.035 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 44.9 mtm180 -63.9 -32.36 73.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -59.49 -48.35 81.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.526 HD11 HD23 ' A' ' 12' ' ' LEU . 95.7 mt -60.32 -39.55 87.41 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.766 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.577 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 30.0 m-80 -73.38 -34.62 65.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 0.0 111.881 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -47.61 12.85 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.086 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 109' ' ' LEU . 14.3 tp -80.84 -54.54 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -115.83 24.28 11.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.697 0.284 . . . . 0.0 110.787 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.577 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -64.76 -30.34 77.68 Favored Glycine 0 C--N 1.325 -0.039 0 C-N-CA 121.064 -0.588 . . . . 0.0 114.492 -169.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 117.177 0.489 . . . . 0.0 110.956 -178.47 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.637 0.256 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.54 -176.11 2.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HA3' ' A' ' 45' ' ' GLY . 50.5 mt -100.55 145.21 28.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.607 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -73.74 152.95 89.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.476 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.69 -43.34 58.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.388 2.725 . . . . 0.0 112.909 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.49 -32.03 71.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.0 -38.01 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.26 -48.68 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -60.54 -34.0 73.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.287 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.47 -41.75 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.4 t -68.1 -39.46 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.229 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 9' ' ' ALA . 94.1 mt -59.81 -44.02 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.45 -46.66 80.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.278 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.07 -46.1 90.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.057 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.59 -20.17 12.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.4 29.86 3.54 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.267 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -94.33 163.8 13.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.113 0.482 . . . . 0.0 111.28 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.73 154.1 50.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.725 175.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.21 139.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.972 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.91 -71.07 0.74 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.79 128.04 60.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.492 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -113.16 93.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.742 0.782 . . . . 0.0 110.972 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -92.02 152.22 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.32 -7.73 20.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.909 0.385 . . . . 0.0 111.639 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -120.67 -2.68 9.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.1 m -165.54 131.82 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -170.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 65.7 m-85 -96.83 111.0 23.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 174.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.72 86.05 1.16 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -90.22 145.41 25.03 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 110.849 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 44.7 ptt85 -151.44 151.9 32.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.538 0.685 . . . . 0.0 112.02 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -136.43 82.92 1.97 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.606 170.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.68 -101.55 0.79 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.791 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.58 -15.29 37.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.038 0.447 . . . . 0.0 111.23 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 50.8 m-20 -89.95 102.35 15.05 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.568 -174.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -103.66 122.97 46.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.349 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 51' ' ' ILE . 8.6 m -137.61 123.65 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.272 0.558 . . . . 0.0 110.824 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' O ' ' HB ' ' A' ' 50' ' ' ILE . 97.2 m-85 -97.71 114.61 26.63 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 38.9 t -84.93 111.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.445 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.549 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 2.8 t-20 -69.88 110.98 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.262 0.553 . . . . 0.0 109.813 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.472 HH11 ' HE1' ' A' ' 27' ' ' TYR . 57.4 ttt85 -83.41 -11.76 57.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.523 -175.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -85.07 4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.473 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 47' ' ' THR . . . -77.68 92.83 4.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -71.01 -26.54 63.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.668 0.747 . . . . 0.0 109.269 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 64.2 mtt -117.34 122.62 44.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 167.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 3' ' ' LEU . . . -74.65 53.04 2.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.524 -173.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HA ' ' HA3' ' A' ' 95' ' ' GLY . 52.5 ttp85 -106.2 -9.81 16.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.598 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 73.0 p -137.84 88.39 2.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 177.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -160.58 -40.48 0.05 OUTLIER 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.079 -170.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 47.5 tp -91.48 90.07 7.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.194 174.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 92' ' ' ILE . 71.8 mt -103.05 106.67 20.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.757 -175.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' HA ' HG12 ' A' ' 36' ' ' VAL . 25.6 pt -89.18 164.12 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.112 -172.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.518 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 24.3 t-80 -63.36 113.82 10.85 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.089 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 4.4 Cg_exo -47.33 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.653 2.902 . . . . 0.0 113.123 175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 0.0 OUTLIER 160.23 -20.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 O-C-N 124.466 1.104 . . . . 0.0 108.732 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.52 18.51 13.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.213 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.891 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.45 -55.18 37.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 58' ' ' ARG . 9.2 tpt180 -57.83 -47.94 81.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.793 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 t -60.79 -41.72 96.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.206 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.8 m -60.54 -21.05 62.08 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 t -80.8 -8.66 59.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.0 111.048 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.29 -59.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.013 0.435 . . . . 0.0 111.176 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.12 108.84 10.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.208 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.24 144.84 98.42 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.832 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.18 148.98 91.19 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 111.526 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.21 -66.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.363 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.57 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 46.4 p -84.69 -77.05 0.29 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.575 1.178 . . . . 0.0 110.133 177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.3 t70 178.96 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.279 0 CA-C-N 112.165 -2.289 . . . . 0.0 107.954 174.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 pt -139.3 170.52 15.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.797 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.664 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 63.4 tttm -142.48 105.33 4.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.1 p -82.39 128.32 34.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 74' ' ' HIS . 45.8 t -176.68 149.42 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -80.93 64.86 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.426 0.631 . . . . 0.0 111.397 -176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' A' ' 72' ' ' CYS . 89.2 m-70 -148.66 -45.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 173.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 0.1 OUTLIER -91.44 91.7 8.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.638 -179.156 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.702 ' HA ' ' HB2' ' A' ' 89' ' ' HIS . 11.8 pt20 -84.69 -53.92 5.05 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.949 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' OD1' ' HA ' ' A' ' 52' ' ' HIS . 62.0 m-80 63.39 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.768 0.668 . . . . 0.0 111.843 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.538 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 62.9 t80 -174.95 -54.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.334 -174.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 78' ' ' PHE . 78.4 Cg_exo -54.75 -59.04 0.94 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.627 2.218 . . . . 0.0 113.675 -169.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.3 OUTLIER 67.64 114.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.672 0.607 . . . . 0.0 110.38 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -70.93 131.75 44.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.23 -41.23 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.64 77.04 0.95 Allowed Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.21 -177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.438 ' HA3' ' OE2' ' A' ' 88' ' ' GLU . . . -159.64 -123.71 0.71 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -129.52 -79.13 0.55 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.961 0.41 . . . . 0.0 110.386 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.8 t -84.34 6.32 23.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.579 ' HB3' HD22 ' A' ' 80' ' ' LEU . 37.2 m-70 69.76 116.78 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.663 -175.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' OE2' ' HA3' ' A' ' 84' ' ' GLY . 1.9 pm0 -114.36 108.58 17.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.59 -170.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.702 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -65.76 148.16 52.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -137.37 170.27 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.418 -170.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -141.85 179.5 19.8 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 47.1 mt -104.62 111.67 65.24 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 117.245 0.522 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.664 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 12.7 Cg_endo -83.52 134.44 6.58 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.265 2.643 . . . . 0.0 113.345 -173.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 60.8 m80 -130.47 -177.07 4.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.635 177.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 46' ' ' ARG . . . -175.99 158.41 25.15 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 102' ' ' LEU . 63.6 m-85 -142.16 146.54 35.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.021 0.411 . . . . 0.0 111.269 -169.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.221 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.1 m -150.4 149.44 30.05 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 111.471 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.729 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 1.9 mpt_? -61.27 -51.99 66.62 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.553 -175.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.3 tp -60.6 -31.18 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.305 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.22 82.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 96' ' ' PHE . 38.6 tp -58.12 -39.85 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.191 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.1 -51.92 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.224 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.483 HH22 ' ND2' ' A' ' 107' ' ' ASN . 4.3 mmp_? -65.81 -29.92 70.47 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -75.15 -49.95 17.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.328 -0.232 . . . . 0.0 111.416 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.3 -30.62 68.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.25 0.547 . . . . 0.0 109.94 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.483 ' ND2' HH22 ' A' ' 104' ' ' ARG . 13.3 t-20 -53.85 -53.64 49.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.103 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.33 -23.07 41.64 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.95 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD12 ' HG3' ' A' ' 58' ' ' ARG . 48.4 tp -77.21 -53.37 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.974 0.387 . . . . 0.0 111.33 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.13 -25.6 11.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.144 -176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 97.93 116.52 3.57 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.339 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.498 -1.049 0 CA-C-O 122.546 1.165 . . . . 0.0 110.489 178.477 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' SER . 46.9 ttm . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -95.62 174.81 6.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.75 0.309 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 70.0 mt -85.91 156.8 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.42 0.629 . . . . 0.0 111.856 -172.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.473 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 74.5 mtt180 -90.92 160.27 38.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.412 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 9.6 Cg_endo -53.83 -57.69 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.988 2.459 . . . . 0.0 112.713 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.272 0.558 . . . . 0.0 110.683 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.15 -45.47 80.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.686 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' ARG . 99.1 t -63.08 -46.35 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.441 176.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.39 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -57.76 -47.66 81.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.127 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.4 t -66.53 -37.93 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.668 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.9 mt -59.73 -46.43 89.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.188 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -55.26 -41.25 71.95 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.177 0.513 . . . . 0.0 110.746 176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.8 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.698 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -34.64 72.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.215 -178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 134.68 16.25 1.02 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.02 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -100.52 157.9 16.31 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.727 -0.278 . . . . 0.0 111.468 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -134.16 143.78 48.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.42 138.25 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 30' ' ' ARG . 8.6 p-10 -112.57 -33.7 6.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.606 0.241 . . . . 0.0 110.996 175.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 23' ' ' THR . 11.7 p -139.97 99.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 122.038 0.923 . . . . 0.0 111.972 -177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.96 100.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.815 0.817 . . . . 0.0 110.697 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 21' ' ' VAL . 39.0 p -103.04 167.7 9.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.152 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -70.53 -13.63 62.18 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -172.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -124.55 -0.58 8.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.756 0.312 . . . . 0.0 110.672 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 54.0 m -160.87 138.5 9.36 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 90.2 m-85 -105.01 112.1 25.11 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 171.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -77.15 111.57 3.3 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 173.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.3 117.16 24.63 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.875 0.369 . . . . 0.0 110.821 -171.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HD3' ' HB3' ' A' ' 20' ' ' ASP . 26.5 ptt-85 -122.92 156.69 34.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -169.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 16' ' ' GLY . 24.2 ttp180 -159.28 109.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.281 167.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -120.12 7.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.228 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 10.2 tt0 -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.489 0.662 . . . . 0.0 109.672 175.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -90.44 102.36 15.09 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.219 0.533 . . . . 0.0 110.447 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' HB2' ' ND2' ' A' ' 77' ' ' ASN . 25.4 m-85 -111.31 99.64 8.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.257 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 51' ' ' ILE . 14.4 m -98.46 146.91 7.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -112.56 116.09 29.66 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.009 0.433 . . . . 0.0 109.885 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 26.2 t -86.9 121.15 37.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.746 178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 48' ' ' ALA . 12.2 m120 -65.24 114.69 4.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -79.67 -18.32 51.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.415 0.626 . . . . 0.0 109.703 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -92.48 23.15 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -74.06 83.32 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.51 -28.8 24.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.224 0.535 . . . . 0.0 110.702 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.5 ptp -93.84 -18.52 21.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.345 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 -15.36 12.59 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.36 -0.448 . . . . 0.0 113.522 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -80.54 -3.15 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.256 0.551 . . . . 0.0 110.87 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.5 p -142.0 96.84 3.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.616 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -161.84 -43.81 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.369 -174.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 61.8 tp -88.68 86.62 7.03 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.126 -0.629 . . . . 0.0 110.619 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 93' ' ' PRO . 8.1 mm -93.99 97.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.933 HG13 ' H ' ' A' ' 52' ' ' HIS . 23.2 pt -72.06 -77.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -169.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.933 ' H ' HG13 ' A' ' 51' ' ' ILE . 55.8 t-80 169.09 148.8 0.11 Allowed Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -170.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HG2' ' HD2' ' A' ' 79' ' ' PRO . 16.8 Cg_exo -63.46 -163.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 121.565 1.51 . . . . 0.0 110.222 169.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 20.7 ttm-85 71.44 -52.85 0.69 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 111.113 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.7 mt -85.02 7.65 20.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.408 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.09 -47.02 87.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.704 0.287 . . . . 0.0 110.98 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.46 -42.97 95.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.541 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -67.35 -49.45 64.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.014 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 t -60.02 -29.78 68.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 t -60.01 -28.04 67.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 111.111 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 m -83.85 -2.45 56.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.475 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.95 -84.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.213 0.53 . . . . 0.0 110.499 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.8 95.14 9.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.277 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -64.46 143.85 98.55 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.388 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 16.1 Cg_exo -68.51 138.01 40.92 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.861 2.374 . . . . 0.0 112.024 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.4 -25.01 60.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.917 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' HB3' ' HG3' ' A' ' 93' ' ' PRO . 24.8 t -145.65 -170.88 3.56 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.48 -77.12 0.08 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.363 0.601 . . . . 0.0 109.63 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.5 pt -143.92 165.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -132.71 111.89 11.54 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.584 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.612 ' HB ' ' CG ' ' A' ' 88' ' ' GLU . 19.0 p -95.25 130.32 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.589 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 42.6 t 179.19 97.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -174.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.4 t70 58.02 -87.93 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 154.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -85.85 4.78 35.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.692 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 11.4 m-30 -82.26 33.55 0.4 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.132 -0.355 . . . . 0.0 110.76 -177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.692 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 4.5 pt20 -66.85 -24.14 66.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -168.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.477 ' ND2' ' HB2' ' A' ' 35' ' ' TYR . 8.2 t30 -64.37 -24.97 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CD2' ' HB3' ' A' ' 75' ' ' TYR . 22.7 m-85 -73.67 152.07 89.28 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.789 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.567 ' HD2' ' HG2' ' A' ' 53' ' ' PRO . 84.6 Cg_exo -47.85 -21.23 2.41 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.814 3.676 . . . . 0.0 114.812 -176.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.699 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 6.3 tt 75.16 133.6 0.05 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 0.0 110.846 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -92.48 117.5 30.0 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.945 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.99 115.41 19.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.276 0.56 . . . . 0.0 112.148 -176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.7 -159.4 22.77 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.843 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.44 -83.45 0.15 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.776 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.41 -63.92 1.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.632 0.73 . . . . 0.0 109.727 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 p -80.32 145.58 32.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.286 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.692 ' HB3' HD21 ' A' ' 80' ' ' LEU . 9.9 m-70 -131.32 147.88 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB ' ' A' ' 71' ' ' THR . 8.2 tp10 -137.34 144.3 42.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.101 0.476 . . . . 0.0 109.851 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 80' ' ' LEU . 58.0 m-70 -79.37 127.61 32.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.288 -177.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.438 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.3 p90 -109.71 138.98 45.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.185 -174.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 -179.85 16.1 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.9 mt -113.43 113.18 48.47 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 117.03 0.415 . . . . 0.0 110.38 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 Cg_endo -72.02 140.06 33.98 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.359 2.706 . . . . 0.0 113.327 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.547 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 77.5 m80 -144.2 170.87 15.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.99 177.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.75 158.08 23.81 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.515 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 92.6 m-85 -141.28 155.32 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.0 0.4 . . . . 0.0 110.772 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 3.8 p -85.83 -21.97 27.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.967 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -131.76 144.49 51.0 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.78 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 102' ' ' LEU . 94.6 mtt180 -60.31 -53.51 56.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 14.6 tt -61.0 -28.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.715 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.62 91.33 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -58.04 -45.1 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.686 172.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 100' ' ' ILE . 38.3 tt0 -52.29 -56.46 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.503 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 58.0 mtp180 -64.42 -38.41 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.174 -176.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -70.35 -37.86 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.154 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 88.5 mt -60.54 -35.62 76.46 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 110.082 172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.605 ' O ' ' HA3' ' A' ' 111' ' ' GLY . 49.2 t30 -74.26 -33.87 63.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.757 -178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.71 -46.4 14.52 Favored Glycine 0 C--N 1.314 -0.691 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.43 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.3 tp -80.03 -52.28 8.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.87 0.367 . . . . 0.0 111.644 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.06 6.96 47.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.605 ' HA3' ' O ' ' A' ' 107' ' ' ASN . . . -75.79 2.53 54.3 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.468 174.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 N--CA 1.434 -1.235 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 171.145 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' SER . 59.9 mtt . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.09 143.75 43.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.775 0.321 . . . . 0.0 110.517 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 7' ' ' GLU . 79.0 mt -76.52 148.79 36.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -73.95 156.41 88.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.141 174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.86 -39.45 91.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.607 2.205 . . . . 0.0 111.208 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 5.0 m-20 -60.17 -44.63 94.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.751 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.8 tp10 -62.83 -42.03 99.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.865 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.6 -47.02 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.14 -38.67 83.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 178.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 86.3 mtt180 -56.99 -46.82 81.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.569 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.48 -41.05 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.75 0.31 . . . . 0.0 110.35 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.08 -48.18 82.81 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 48.7 mt-10 -58.54 -40.08 82.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.121 0.486 . . . . 0.0 110.649 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.941 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -69.89 -41.23 75.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.654 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.085 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.75 21.63 4.95 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.521 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -83.06 175.79 9.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p -137.06 155.67 49.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.323 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.19 143.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.616 ' HB2' HH11 ' A' ' 30' ' ' ARG . 38.2 t70 -107.54 -63.94 1.25 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.011 0.434 . . . . 0.0 110.216 177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.54 105.42 18.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.644 0.735 . . . . 0.0 110.563 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.52 117.23 45.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.63 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.1 p -133.16 161.38 34.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.965 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -78.08 4.64 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.492 0.663 . . . . 0.0 110.515 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -117.62 -13.63 10.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.066 176.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -162.1 136.25 6.65 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -167.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 48.9 m-85 -105.75 99.2 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.753 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.69 91.01 1.27 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.808 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 6.2 m-85 -93.85 153.51 18.23 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.002 0.429 . . . . 0.0 111.686 -175.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.616 HH11 ' HB2' ' A' ' 20' ' ' ASP . 15.7 ptt-85 -161.89 166.0 26.87 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.273 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -161.89 130.4 4.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 169.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.66 -103.8 0.96 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.333 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.74 18.36 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.12 0.486 . . . . 0.0 110.318 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -102.41 138.54 39.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -123.95 130.46 52.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.653 0.263 . . . . 0.0 111.126 -177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' HB ' HD11 ' A' ' 49' ' ' LEU . 4.3 m -134.04 114.06 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.379 0.609 . . . . 0.0 110.14 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -97.78 109.99 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.58 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.3 t -84.89 115.92 27.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.303 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -74.3 109.21 7.61 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HG2' HH11 ' A' ' 40' ' ' ARG . 18.6 ttt-85 -73.3 -18.56 61.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.914 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -91.83 -8.15 47.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.813 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.69 68.36 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.018 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 43' ' ' ARG . 71.3 mtt180 -70.22 -15.9 62.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.415 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.3 mtt -76.87 -30.57 56.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.99 -9.17 73.05 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.065 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.56 -27.02 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.805 0.302 . . . . 0.0 111.691 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 65.5 p -126.49 26.13 6.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.93 0.395 . . . . 0.0 110.675 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -43.17 57.28 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 31.2 tp -110.3 107.73 17.58 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.263 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 93' ' ' PRO . 67.0 mt -112.14 114.55 47.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-O 121.307 0.575 . . . . 0.0 110.415 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.57 174.3 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.716 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -60.72 143.27 91.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.736 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 52.9 Cg_exo -54.72 -169.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.089 2.526 . . . . 0.0 112.888 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.9 ttt85 72.6 -48.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.082 0.467 . . . . 0.0 110.946 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.64 10.41 1.76 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.967 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -58.15 -58.07 10.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.782 0.325 . . . . 0.0 110.215 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.35 -48.83 76.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -54.74 -59.31 4.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.45 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -61.08 -26.31 67.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.4 m -60.23 -17.7 43.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.492 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -90.15 9.18 29.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.94 0.4 . . . . 0.0 110.799 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -132.61 -53.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 140.61 29.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.857 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 9.0 p-10 -75.32 130.13 80.74 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.328 0.585 . . . . 0.0 111.684 -174.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.4 Cg_exo -77.57 144.17 22.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.025 2.483 . . . . 0.0 110.815 170.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.44 -73.25 0.29 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.795 0.331 . . . . 0.0 111.211 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 93' ' ' PRO . 4.5 m -91.52 164.19 13.88 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.68 -71.03 0.14 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.414 0.626 . . . . 0.0 109.318 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.1 pt -138.1 136.65 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.68 -1.145 . . . . 0.0 108.03 171.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.523 ' NZ ' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -104.05 142.21 34.86 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 177.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 88' ' ' GLU . 26.7 p -97.35 93.76 6.68 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.417 1.104 . . . . 0.0 111.797 -173.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 73' ' ' ASP . 13.3 t -80.63 -177.14 6.13 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.642 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 19.8 t70 -129.57 -23.31 2.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.172 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -97.82 -34.42 10.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 1.9 m-30 -76.76 89.88 3.43 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 121.086 -0.245 . . . . 0.0 110.428 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -61.61 -58.27 8.76 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 47.87 -103.61 0.1 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.735 0.647 . . . . 0.0 112.128 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 45.5 m-85 -164.0 -48.45 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.604 -171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.558 ' CD ' ' H ' ' A' ' 78' ' ' PHE . 32.1 Cg_exo -63.73 12.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 124.194 3.263 . . . . 0.0 115.83 -174.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 87' ' ' HIS . 2.2 tm? -34.61 113.82 0.19 Allowed 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.993 0.425 . . . . 0.0 110.233 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -64.17 115.19 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.922 -169.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.2 mm? -84.82 81.62 8.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.29 47.16 1.07 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.952 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.85 -88.43 0.86 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.706 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -85.02 -71.72 0.51 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.046 0.45 . . . . 0.0 110.809 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -81.26 145.02 31.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.79 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 80' ' ' LEU . 15.2 m170 -126.88 109.27 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 71' ' ' THR . 2.3 pm0 -105.41 128.62 53.62 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.794 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.524 ' HB3' ' O ' ' A' ' 75' ' ' TYR . 82.8 m-70 -73.98 102.19 4.07 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 51.0 p90 -97.76 149.18 22.6 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.74 -174.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.24 173.51 26.5 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.265 178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.6 mm -102.21 110.5 62.73 Favored Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.924 0.362 . . . . 0.0 110.846 -176.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.735 ' HA ' HG12 ' A' ' 50' ' ' ILE . 7.2 Cg_exo -73.34 143.15 34.61 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.208 2.605 . . . . 0.0 112.444 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 49' ' ' LEU . 67.3 m80 -138.46 -179.94 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 110.753 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.82 158.84 26.07 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.08 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -134.28 -163.6 1.39 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -171.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' MET . 10.7 p -153.2 12.74 0.49 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.485 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.9 t -173.45 145.26 1.23 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.064 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -60.21 -40.19 89.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.4 tp -60.4 -33.62 54.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.207 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -43.92 78.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.42 -37.51 87.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.028 0.442 . . . . 0.0 110.004 175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.87 -54.08 51.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.121 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 57.1 mtm180 -70.02 -21.12 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.275 -178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -67.03 -52.65 39.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.15 -43.52 92.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.472 0.653 . . . . 0.0 109.817 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -58.98 -61.31 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.091 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.14 -47.22 65.8 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 114.033 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 tp -72.41 -50.9 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.009 0.405 . . . . 0.0 112.02 -172.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -90.26 -41.69 11.42 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.351 -174.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.34 55.35 15.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.493 -0.86 . . . . 0.0 111.803 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -177.258 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.772 0.32 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -107.42 176.57 5.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.8 mt -88.19 132.3 34.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.97 0.414 . . . . 0.0 110.2 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -58.94 151.0 57.68 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.627 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.32 -42.26 69.13 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.383 2.056 . . . . 0.0 111.21 176.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 10.2 m-20 -60.06 -45.12 93.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.284 175.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.07 -44.42 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.997 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.03 -48.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.87 78.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 64.3 mtp85 -60.25 -52.09 66.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.186 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -58.98 -38.36 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.767 0.318 . . . . 0.0 110.678 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.9 mt -59.45 -46.59 88.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.14 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -59.22 -44.5 92.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -65.57 -27.67 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.27 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.97 -5.52 54.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.46 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 18.19 23.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.939 177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 25.4 m-85 -85.94 163.83 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.38 0.61 . . . . 0.0 111.384 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.76 157.33 47.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.435 -175.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.88 138.53 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.216 174.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 19.0 t70 -108.81 -48.23 3.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.179 0.514 . . . . 0.0 109.825 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.1 p -140.73 123.82 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.3 p -102.34 125.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.528 0.68 . . . . 0.0 110.658 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 25' ' ' LYS . 30.4 p -131.57 155.03 48.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.272 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 63.0 t30 -73.94 7.59 2.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.392 0.615 . . . . 0.0 110.532 -177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 23' ' ' THR . 57.5 tttp -127.53 -16.99 4.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.854 0.835 . . . . 0.0 109.995 -174.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.3 m -163.33 140.44 7.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.281 -168.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 91.0 m-85 -106.29 106.01 16.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 174.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.81 116.63 5.72 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.069 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.63 142.96 49.61 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 122.425 0.29 . . . . 0.0 110.507 -174.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 4.7 ppt_? -156.3 155.72 32.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.88 0.372 . . . . 0.0 111.912 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 HH22 ' HA2' ' A' ' 111' ' ' GLY . 53.1 ttp180 -135.69 79.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 172.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.72 -111.93 4.27 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.257 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -111.63 12.57 21.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -104.76 117.53 34.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.174 0.512 . . . . 0.0 109.936 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -108.29 132.83 53.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.877 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -133.52 147.0 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.662 173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.78 113.45 25.8 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.3 t -82.4 105.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.489 0.662 . . . . 0.0 109.714 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 50' ' ' ILE . 2.5 t-20 -77.91 121.24 23.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.458 -176.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 24' ' ' ASN . 15.6 ptm180 -90.54 10.17 26.5 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.654 -0.818 . . . . 0.0 109.836 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HB2' ' OD1' ' A' ' 39' ' ' ASN . 37.4 mt-10 -90.03 11.66 19.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.601 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 81.97 0.25 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.498 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -57.92 -34.83 70.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.391 -176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 25.4 mmt -116.36 15.97 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.141 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.31 14.18 71.35 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.174 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -80.32 -77.87 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.86 -0.2 . . . . 0.0 111.475 -174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 p -78.34 42.73 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.74 -38.37 58.5 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.41 106.83 18.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.273 0.559 . . . . 0.0 111.096 -175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG12 ' HB3' ' A' ' 93' ' ' PRO . 72.8 mt -117.01 117.14 54.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.199 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' HB ' ' A' ' 92' ' ' ILE . 14.8 pt -101.83 169.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.266 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HA ' ' OD1' ' A' ' 77' ' ' ASN . 45.1 t-80 -64.44 140.98 98.11 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.766 173.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.747 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 9.9 Cg_endo -55.84 -164.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.155 2.57 . . . . 0.0 112.53 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.747 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 64.46 -31.64 0.13 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.297 1.039 . . . . 0.0 112.197 -177.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 53' ' ' PRO . 23.7 mt -90.96 14.55 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.796 0.439 . . . . 0.0 111.255 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.24 -56.16 24.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.87 -38.94 79.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.408 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.53 -57.3 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 t -60.72 -33.45 72.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.89 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 t -59.36 -31.68 69.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.347 0.404 . . . . 0.0 111.521 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -70.47 -15.62 62.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.428 . . . . 0.0 111.059 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.0 mt -109.18 -62.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.335 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.67 128.41 38.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.133 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.83 154.54 87.05 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.679 -177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.39 139.92 32.58 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.242 1.962 . . . . 0.0 111.757 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.47 -53.68 51.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.038 0.447 . . . . 0.0 110.244 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' OG ' ' HG2' ' A' ' 93' ' ' PRO . 20.5 p -101.86 -76.62 0.57 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 122.815 1.293 . . . . 0.0 110.003 173.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -176.22 -64.94 0.01 OUTLIER 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 111.558 -2.565 . . . . 0.0 107.256 175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 pt -138.99 152.02 23.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.953 172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.676 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . 62.9 tttm -118.3 108.59 15.29 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.62 HG22 ' HB3' ' A' ' 90' ' ' TYR . 7.0 p -93.18 114.13 26.54 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.0 t 176.7 -169.35 0.06 Allowed 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.389 0.614 . . . . 0.0 111.502 -174.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.79 116.48 6.34 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.241 -169.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.8 m80 96.4 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 112.938 -1.937 . . . . 0.0 112.463 162.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 20.9 m-85 -109.93 51.39 0.76 Allowed 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.582 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.658 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -54.82 -70.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.568 -176.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.667 ' O ' ' HD3' ' A' ' 79' ' ' PRO . 66.6 m-80 63.52 3.05 1.35 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 176.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.457 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 85.4 t80 101.07 -62.64 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.275 0 C-N-CA 125.351 1.46 . . . . 0.0 113.967 -177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.667 ' HD3' ' O ' ' A' ' 77' ' ' ASN . 24.1 Cg_exo -64.91 -56.18 0.42 Allowed 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.574 2.183 . . . . 0.0 114.448 -166.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 81' ' ' TYR . 2.8 tt 71.58 134.26 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -173.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.4 t80 -87.69 99.06 11.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.693 -0.629 . . . . 0.0 109.787 178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.93 -13.86 38.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.38 72.37 1.94 Allowed Glycine 0 C--N 1.329 0.189 0 C-N-CA 121.161 -0.542 . . . . 0.0 113.173 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.17 28.55 0.03 OUTLIER Glycine 0 C--N 1.321 -0.255 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 60.66 -75.93 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.683 0.793 . . . . 0.0 111.073 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.8 p -68.27 117.7 10.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 173.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' HB3' HD22 ' A' ' 80' ' ' LEU . 18.3 m-70 -90.64 145.47 24.82 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.771 -173.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.525 ' HG3' ' HB ' ' A' ' 71' ' ' THR . 4.0 pt-20 -148.6 136.0 20.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.3 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.658 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 85.5 m-70 -72.47 143.56 48.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.546 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.62 ' HB3' HG22 ' A' ' 71' ' ' THR . 22.7 p90 -130.84 143.01 50.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.358 0.599 . . . . 0.0 112.355 -172.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.85 176.06 20.43 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 171.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 57.8 mt -103.75 109.78 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 117.599 0.699 . . . . 0.0 111.181 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.676 ' HG3' ' HB2' ' A' ' 70' ' ' LYS . 38.0 Cg_endo -85.87 150.07 9.74 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.607 2.205 . . . . 0.0 112.612 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -132.68 -158.09 0.86 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 156.71 21.39 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 102' ' ' LEU . 52.9 m-85 -145.65 130.16 17.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.813 0.307 . . . . 0.0 110.826 -172.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.5 p -85.96 -13.95 46.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.265 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.6 m -145.66 147.3 31.85 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.167 0.508 . . . . 0.0 112.279 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 99' ' ' ARG . 61.8 mtt180 -59.94 -51.37 69.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 11.4 tt -60.57 -31.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.671 0.272 . . . . 0.0 111.42 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.87 41.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 96' ' ' PHE . 55.6 tp -57.75 -42.47 84.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.639 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -50.97 -53.14 35.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.166 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 60.0 mtm180 -66.27 -41.54 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.413 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.17 -37.12 78.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.982 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.06 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -59.6 -41.07 89.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.986 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -88.93 -33.47 9.72 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.226 -0.988 . . . . 0.0 112.99 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 tp -80.91 -51.16 8.87 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -118.14 -0.99 11.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -174.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.413 ' HA2' HH22 ' A' ' 31' ' ' ARG . . . -67.34 -68.58 1.61 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.126 -175.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 N--CA 1.431 -1.422 0 CA-C-O 124.104 1.907 . . . . 0.0 111.419 -175.713 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.781 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 76.2 m-85 -131.78 -176.18 3.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.572 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.82 125.35 54.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.704 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HG3' ' HD2' ' A' ' 5' ' ' PRO . 35.7 ttt180 -57.67 138.41 82.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.066 176.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' A' ' 4' ' ' ARG . 9.3 Cg_endo -52.57 -35.54 67.52 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.49 2.793 . . . . 0.0 112.636 -175.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.28 -44.21 95.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.272 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 11' ' ' VAL . 8.6 tp10 -62.09 -46.66 88.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.542 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 55.3 t -55.32 -48.46 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.44 -177.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -60.3 -49.54 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.248 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 10' ' ' ARG . 30.6 ttp-105 -61.13 -38.0 84.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.409 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 7' ' ' GLU . 76.9 t -60.31 -45.12 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.635 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 8' ' ' VAL . 82.9 mt -58.79 -48.46 81.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.793 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -43.92 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.208 0.528 . . . . 0.0 109.86 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -65.79 -35.84 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.73 7.77 2.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.403 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.68 36.23 8.03 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.747 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 14.3 m-85 -100.73 179.11 4.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.197 0.522 . . . . 0.0 111.517 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -139.48 158.36 44.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.816 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -109.09 132.33 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.662 0.268 . . . . 0.0 110.857 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HB3' HH11 ' A' ' 30' ' ' ARG . 5.1 p-10 -98.17 -33.78 10.99 Favored 'General case' 0 CA--C 1.513 -0.47 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.335 177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG12 ' HA3' ' A' ' 28' ' ' GLY . 8.0 p -144.8 141.31 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.523 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.42 117.79 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.41 0.624 . . . . 0.0 110.565 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.2 p -129.35 159.1 37.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.897 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.531 ' HA ' ' NH1' ' A' ' 40' ' ' ARG . 28.5 t-20 -66.89 -14.25 62.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.271 0.558 . . . . 0.0 110.407 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -90.87 -34.46 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.439 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.8 t -170.5 153.43 4.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.106 0.479 . . . . 0.0 111.884 -172.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 84.8 m-85 -99.41 142.02 31.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.138 177.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.593 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -104.92 109.42 3.29 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 172.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -115.12 151.79 33.7 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.966 0.412 . . . . 0.0 111.43 -174.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 20' ' ' ASP . 13.3 ptt-85 -156.17 154.68 31.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.806 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -139.52 91.32 2.48 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.34 -129.29 8.94 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -95.24 16.73 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.33 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -110.12 129.34 55.72 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -123.38 145.89 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 111.559 -170.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.807 HG12 HG22 ' A' ' 51' ' ' ILE . 3.5 m -147.18 121.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.402 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -96.29 125.2 40.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.79 0.329 . . . . 0.0 110.183 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 9' ' ' ALA . 15.7 t -96.0 111.04 25.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.955 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 48.1 t30 -91.95 130.86 37.62 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 120.872 0.368 . . . . 0.0 111.357 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' NH1' ' HA ' ' A' ' 24' ' ' ASN . 96.1 mtt180 -85.69 -11.43 53.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.775 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 39' ' ' ASN . 33.5 mt-10 -75.83 3.11 10.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.099 -176.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.5 88.52 5.5 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.738 0.304 . . . . 0.0 110.841 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -76.53 -30.22 57.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.459 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -85.63 -8.78 58.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.537 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.24 27.61 73.66 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.332 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -104.5 -12.74 16.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.105 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 93' ' ' PRO . 12.7 p -134.16 28.32 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.498 . . . . 0.0 110.697 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.65 -26.3 57.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.813 -173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.4 tp -122.17 117.11 25.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.869 -175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.539 HD11 ' HD3' ' A' ' 70' ' ' LYS . 72.4 mt -119.09 112.17 36.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.899 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.986 HG13 ' H ' ' A' ' 52' ' ' HIS . 19.6 pt -85.9 -81.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.985 -174.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.986 ' H ' HG13 ' A' ' 51' ' ' ILE . 49.0 t-80 179.15 148.58 0.42 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -174.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 9.3 Cg_endo -53.93 -169.84 0.02 OUTLIER 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 122.812 2.341 . . . . 0.0 111.947 168.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 73.5 ttt180 71.68 -47.1 0.66 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.022 0.439 . . . . 0.0 111.341 -177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.72 16.9 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.875 0.47 . . . . 0.0 111.854 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -55.38 -67.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.234 0.334 . . . . 0.0 111.735 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -69.86 -35.04 74.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -55.96 -58.72 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.943 175.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -61.19 -29.3 69.72 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.332 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.1 m -59.88 -28.2 67.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -77.85 -25.6 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.187 0.518 . . . . 0.0 110.478 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.94 -58.66 2.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.446 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 132.25 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.96 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 7.2 p-10 -68.99 132.69 90.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.42 0.628 . . . . 0.0 111.643 -173.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 4.1 Cg_exo -81.33 135.59 9.57 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.027 2.484 . . . . 0.0 110.457 169.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.31 -67.61 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.178 0.513 . . . . 0.0 110.965 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 m -97.38 -171.4 2.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.321 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.91 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 pt -148.17 153.76 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.545 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HD3' HD11 ' A' ' 50' ' ' ILE . 61.9 tttm -129.88 130.91 45.8 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 36.8 p -105.78 157.31 17.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.975 0.417 . . . . 0.0 111.382 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 35.5 t -164.81 -178.67 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.04 -21.35 14.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.482 0.182 . . . . 0.0 111.37 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -84.48 -41.16 16.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -74.0 87.37 1.84 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.447 -176.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.662 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 5.6 pm0 -77.51 -32.19 53.96 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.422 HD22 ' HA ' ' A' ' 77' ' ' ASN . 1.9 t-20 -79.33 74.35 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 122.087 0.946 . . . . 0.0 111.719 -171.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.764 ' HE1' ' HA ' ' A' ' 52' ' ' HIS . 49.3 m-85 -145.21 177.84 1.64 Allowed Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 175.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 78' ' ' PHE . 52.7 Cg_exo -57.96 -26.35 74.29 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 121.423 1.416 . . . . 0.0 111.262 170.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.3 OUTLIER 63.51 109.58 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 O-C-N 124.108 0.88 . . . . 0.0 109.142 -177.508 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -52.03 115.47 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.643 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.44 151.86 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.431 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.2 -172.27 39.96 Favored Glycine 0 N--CA 1.441 -1.017 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.72 -10.31 83.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -81.74 -168.37 1.87 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.024 0.44 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.0 p -72.29 -4.98 32.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.629 ' HB3' HD22 ' A' ' 80' ' ' LEU . 20.6 m170 70.94 115.64 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.277 0.631 . . . . 0.0 109.967 -175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -116.61 143.48 45.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.246 0.546 . . . . 0.0 110.409 -175.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.662 ' ND1' ' HA ' ' A' ' 76' ' ' GLN . 55.0 m-70 -84.2 106.59 15.95 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.871 -174.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.4 p90 -102.39 136.66 41.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.339 0.59 . . . . 0.0 111.64 -174.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.97 -179.99 17.65 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 173.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 53' ' ' PRO . 56.6 mt -108.47 114.27 59.29 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 117.546 0.673 . . . . 0.0 110.801 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.535 ' HB2' HG22 ' A' ' 47' ' ' THR . 74.3 Cg_endo -75.56 140.57 24.12 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.184 2.589 . . . . 0.0 112.712 -177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -131.58 -178.2 4.76 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.52 158.36 25.53 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.781 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 67.6 m-85 -139.2 -160.36 1.06 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.923 0.392 . . . . 0.0 110.378 -169.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.6 t -154.25 -38.48 0.09 Allowed 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.2 m -103.73 128.68 51.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.785 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -60.74 -44.69 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.126 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.446 HG13 ' HD2' ' A' ' 104' ' ' ARG . 7.0 tp -60.37 -31.46 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.668 0.271 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.15 37.44 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 35.3 tp -53.08 -45.28 68.11 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.786 0.679 . . . . 0.0 110.97 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.68 -67.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.562 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' HD2' HG13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -70.26 -23.53 62.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.273 -174.169 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -58.64 -44.24 90.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.467 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 82.6 mt -56.77 -43.23 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.372 0.606 . . . . 0.0 110.611 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -70.36 -46.69 63.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.963 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.78 -26.56 72.55 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.379 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 tp -76.3 -61.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.693 -0.298 . . . . 0.0 110.708 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -66.49 -43.16 86.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.604 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 112' ' ' ASP . . . -146.99 -123.88 1.49 Allowed Glycine 0 N--CA 1.429 -1.789 0 C-N-CA 119.685 -1.245 . . . . 0.0 112.074 173.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' A' ' 111' ' ' GLY . 5.8 t70 . . . . . 0 N--CA 1.409 -2.517 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -108.69 152.1 25.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.854 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 96' ' ' PHE . 73.7 mt -68.65 113.35 6.07 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.038 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 64.9 mtt180 -72.86 158.39 87.29 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.949 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 7.1 Cg_endo -45.89 -39.52 19.3 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 124.46 3.44 . . . . 0.0 113.857 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.53 -46.8 88.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.648 0.261 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.03 -35.63 81.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.967 0.413 . . . . 0.0 110.694 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.77 -47.17 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.098 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.94 79.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.184 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -56.93 -48.95 77.08 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.21 -41.72 87.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.856 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 95.2 mt -60.08 -46.94 87.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.927 178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.77 -39.72 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.193 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 17.5 ttpp -65.99 -45.19 82.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.474 0.654 . . . . 0.0 110.685 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.65 -5.19 5.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.746 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.33 27.69 9.08 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.198 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 26.9 m-85 -97.15 150.56 20.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.004 0.431 . . . . 0.0 111.515 -178.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 p -132.52 147.81 52.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.545 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.88 136.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.013 0.435 . . . . 0.0 110.651 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -101.16 -53.64 2.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.117 0.484 . . . . 0.0 110.376 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 8.2 p -121.35 138.55 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.705 -177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 m -120.88 128.1 76.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.442 0.639 . . . . 0.0 109.669 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 47.9 p -123.15 165.43 16.87 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 173.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -68.63 0.34 4.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' THR . 25.6 mmmt -112.25 -33.06 6.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.038 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.7 p -144.88 159.48 42.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -167.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 35.1 m-85 -109.48 111.73 23.43 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.312 -1.313 . . . . 0.0 108.704 159.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -79.34 92.83 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HD1' ' HB3' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -95.18 137.91 33.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 122.619 0.368 . . . . 0.0 111.051 -173.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 34' ' ' ASN . 36.6 ptt180 -139.96 145.86 38.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.631 0.729 . . . . 0.0 112.046 -176.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -140.17 90.46 2.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.365 171.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.16 -112.9 4.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.356 -0.926 . . . . 0.0 110.793 -172.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -99.87 11.26 39.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 0.0 110.779 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.0 OUTLIER -90.28 97.6 11.28 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -109.99 117.6 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.657 0.265 . . . . 0.0 110.884 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 51' ' ' ILE . 32.4 m -129.94 154.51 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.27 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 92.3 m-85 -116.61 115.87 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.573 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 37.0 t -88.04 121.62 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 17.8 t-20 -74.03 120.76 20.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.312 -178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 23' ' ' THR . 42.3 mtp180 -88.57 9.46 23.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 111.705 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.71 13.68 12.46 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.119 0.485 . . . . 0.0 110.072 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -84.83 93.94 8.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.66 -174.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.38 -31.74 58.17 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 172.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.6 mmt -112.68 111.23 21.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.582 174.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.586 ' O ' ' HA3' ' A' ' 95' ' ' GLY . . . -70.09 53.11 0.79 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.318 0.487 . . . . 0.0 114.318 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -100.4 -21.4 15.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.071 0.939 . . . . 0.0 109.286 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.62 97.37 3.19 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.31 -32.22 0.05 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.51 -173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 53.0 tp -102.49 95.41 6.24 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.437 174.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.67 110.86 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 52' ' ' HIS . 41.7 pt -106.4 18.04 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -170.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' ILE . 19.4 t-80 72.99 143.96 0.1 Allowed Pre-proline 0 N--CA 1.473 0.685 0 CA-C-O 120.709 0.29 . . . . 0.0 110.618 -178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 12.1 Cg_endo -57.44 -166.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.256 2.638 . . . . 0.0 113.003 174.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 26.8 ttm180 72.62 -45.18 0.61 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.092 0.472 . . . . 0.0 111.533 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.2 -0.57 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.028 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -49.48 -49.72 44.39 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.599 0.36 . . . . 0.0 111.216 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.57 -55.05 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -56.6 -50.97 70.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.422 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 m -60.98 -31.2 70.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.989 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.2 m -60.12 -16.65 34.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -100.13 -1.37 36.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.268 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -146.18 -79.18 0.17 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.139 0.495 . . . . 0.0 110.941 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.26 94.46 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.69 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 28.8 t70 -63.83 127.06 91.16 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.987 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 6.2 Cg_exo -74.4 119.31 5.71 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.077 2.518 . . . . 0.0 111.781 177.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.07 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.311 0.577 . . . . 0.0 110.203 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -128.72 179.58 5.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -75.74 -64.21 1.13 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.529 0.68 . . . . 0.0 110.182 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 pt -145.28 155.83 13.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -128.06 107.02 9.47 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.846 0.355 . . . . 0.0 110.446 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.623 HG22 ' HB3' ' A' ' 90' ' ' TYR . 17.8 p -84.11 115.87 22.6 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.607 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 44.3 t -170.1 102.06 0.29 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 54.01 -92.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 158.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -94.13 8.04 43.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -164.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 5.6 m-30 -83.66 57.27 3.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 18.3 pt20 -70.56 20.08 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.468 -170.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.448 ' ND2' ' HE2' ' A' ' 37' ' ' TYR . 12.4 m120 -42.75 106.2 0.06 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 72.6 m-85 -19.64 -49.77 0.05 OUTLIER Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.93 1.692 . . . . 0.0 115.379 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 51.0 Cg_exo -25.72 -56.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.363 1.295 0 C-N-CA 124.08 3.187 . . . . 0.0 114.186 170.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? 46.17 105.51 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 O-C-N 124.541 1.151 . . . . 0.0 112.27 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -56.8 110.88 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.279 -172.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.8 mt -84.09 173.67 10.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.683 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.21 0.53 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.837 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.89 -82.75 1.43 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.564 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -86.31 -122.21 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.171 0.188 . . . . 0.0 111.413 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -65.5 157.79 28.65 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.838 0.352 . . . . 0.0 110.2 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -123.62 164.73 18.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 71' ' ' THR . 75.8 mm-40 -122.98 131.14 53.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.143 0.497 . . . . 0.0 110.38 -178.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 79.7 m-70 -75.2 122.22 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.623 ' HB3' HG22 ' A' ' 71' ' ' THR . 31.6 p90 -124.65 156.1 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.869 0.843 . . . . 0.0 113.113 -169.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.442 ' HA2' ' HD3' ' A' ' 53' ' ' PRO . . . -145.96 -179.9 22.5 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.701 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.4 mt -103.8 121.7 47.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 117.959 0.879 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.25 135.05 16.43 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.088 2.525 . . . . 0.0 113.214 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 76.1 m80 -138.33 165.1 27.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.284 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.586 ' HA3' ' O ' ' A' ' 45' ' ' GLY . . . -177.29 158.43 23.93 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.6 m-85 -142.78 159.72 41.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.075 0.438 . . . . 0.0 110.353 -174.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 m -85.66 -22.5 27.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.7 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.512 ' OG ' HG22 ' A' ' 100' ' ' ILE . 32.6 t -136.08 128.59 30.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.022 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.483 ' HA ' HD11 ' A' ' 3' ' ' LEU . 28.0 ptt180 -61.91 -30.64 71.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.364 -177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.512 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.7 tp -60.24 -33.69 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 0.0 110.834 178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.3 57.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 57.5 tp -55.67 -44.13 77.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.508 . . . . 0.0 109.985 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -51.87 52.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.395 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -70.02 -37.55 75.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.994 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -67.79 -42.71 81.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.469 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 93.9 mt -55.59 -39.05 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.067 176.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -61.07 -62.61 1.72 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.144 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.64 78.69 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.131 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.2 tp -80.23 -49.41 11.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.635 0.255 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -86.04 -44.27 12.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.059 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.39 -122.21 2.02 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 119.271 -1.442 . . . . 0.0 112.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.438 -1.053 0 C-N-CA 123.969 0.908 . . . . 0.0 108.595 -174.377 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 45.7 m-85 -116.58 -176.96 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.022 0.439 . . . . 0.0 110.888 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.2 mt -100.71 154.43 18.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.023 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 37.1 mtp-105 -83.58 159.85 60.26 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 4' ' ' ARG . 11.0 Cg_endo -53.07 -52.17 9.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.939 2.426 . . . . 0.0 112.299 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 4.7 p30 -60.72 -42.32 97.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.551 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 99' ' ' ARG . 35.8 mm-40 -52.34 -43.22 64.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.695 0.284 . . . . 0.0 111.437 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.13 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.423 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.35 -39.23 86.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 6' ' ' ASP . 31.5 mtp180 -60.33 -37.05 79.41 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 94.4 t -73.12 -34.19 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.508 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD23 HD11 ' A' ' 106' ' ' LEU . 96.0 mt -60.07 -43.84 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.112 0.482 . . . . 0.0 109.708 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 35.1 mt-10 -61.05 -34.06 74.28 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.21 175.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 41.1 mtpt -58.95 -37.08 75.94 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.916 0.389 . . . . 0.0 110.58 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 -5.22 55.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.929 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.83 11.22 55.49 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.543 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.8 160.64 26.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.61 0.719 . . . . 0.0 112.117 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.74 164.66 29.51 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.535 -177.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 p -84.43 151.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 0.0 110.535 -178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.537 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 38.9 t70 -120.68 -57.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.19 0.519 . . . . 0.0 110.405 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' A' ' 28' ' ' GLY . 5.4 p -114.21 107.04 21.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.653 0.739 . . . . 0.0 110.429 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.62 112.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.49 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.2 p -118.43 160.01 22.47 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.195 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -69.17 -11.32 60.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.8 0.333 . . . . 0.0 111.539 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -103.67 -22.09 13.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.538 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' CE1' ' A' ' 75' ' ' TYR . 3.5 t -169.3 150.39 4.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.321 0.581 . . . . 0.0 112.229 -172.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 70.9 m-85 -99.66 110.04 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.502 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' A' ' 21' ' ' VAL . . . -76.14 106.78 2.21 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 173.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -99.5 151.41 21.17 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 122.587 0.355 . . . . 0.0 111.062 -173.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 36.5 ptt85 -152.91 164.5 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.136 0.493 . . . . 0.0 111.332 -178.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 31' ' ' ARG . 14.6 ttp180 -151.75 69.5 0.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.65 164.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.76 -123.26 7.7 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.198 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.12 15.28 9.03 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -125.75 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.799 0.333 . . . . 0.0 110.631 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.86 143.7 41.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.043 -175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 m -137.84 169.16 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 171.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 92.3 m-85 -128.8 119.9 25.36 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 46.7 t -90.65 107.81 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.57 105.43 3.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.053 0.454 . . . . 0.0 110.386 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' H ' ' HA ' ' A' ' 26' ' ' THR . 19.4 ttt85 -75.14 -24.38 57.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.64 -176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.74 -6.16 42.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.146 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.37 90.43 5.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.099 0.476 . . . . 0.0 110.411 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -91.03 -8.61 48.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.44 0.638 . . . . 0.0 109.592 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 44' ' ' MET . 1.9 mpt? -95.09 -15.88 23.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.209 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.26 -33.88 2.91 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.538 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 42.6 ttt85 -66.58 -23.79 66.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 p -111.79 29.0 8.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.142 -0.349 . . . . 0.0 111.605 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.44 13.25 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.6 tp -94.84 109.39 21.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 111.934 -171.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' A' ' 37' ' ' TYR . 17.7 mm -102.19 130.68 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -117.12 166.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.07 146.79 97.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 58.1 Cg_exo -54.16 -166.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.133 2.556 . . . . 0.0 112.421 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 56.4 ttt180 70.84 -49.94 0.67 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.374 0.607 . . . . 0.0 110.565 -173.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.47 13.34 1.26 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.11 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -60.23 -47.09 87.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.068 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.12 -45.93 75.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.67 -50.86 70.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.153 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.7 t -60.81 -46.11 91.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.182 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 m -60.52 -25.72 66.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.688 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -76.59 -11.24 59.83 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.901 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.21 -47.26 3.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.072 0.463 . . . . 0.0 110.957 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.15 174.79 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.585 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -99.11 140.21 21.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.518 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.76 150.04 23.8 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.64 2.227 . . . . 0.0 112.055 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.442 ' HB3' ' HB2' ' A' ' 93' ' ' PRO . . . -63.46 -36.79 84.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.416 0.627 . . . . 0.0 110.764 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.4 t -137.66 -98.63 0.19 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.841 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -158.18 -62.65 0.08 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 114.043 -1.435 . . . . 0.0 108.968 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.7 pt -145.2 138.86 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.994 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 63.2 tttm -110.93 125.45 53.7 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.222 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 89' ' ' HIS . 15.2 p -74.86 108.09 7.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.914 0.864 . . . . 0.0 111.46 -177.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 89' ' ' HIS . 3.7 m -78.05 137.35 38.21 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.083 -1.417 . . . . 0.0 112.591 -168.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -98.92 -23.47 15.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.101 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -123.92 -29.43 3.65 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.699 ' CE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.11 92.41 7.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -172.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.415 ' HA ' ' ND1' ' A' ' 89' ' ' HIS . 11.7 pt20 -65.19 -45.46 84.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 60.23 -91.48 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -171.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -174.85 -61.57 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 123.192 0.597 . . . . 0.0 110.604 174.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 78' ' ' PHE . 1.7 Cg_endo -43.19 -67.81 0.12 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.808 3.005 . . . . 0.0 114.461 -177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 89' ' ' HIS . 5.5 tt 69.95 128.0 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.625 0 O-C-N 123.817 0.698 . . . . 0.0 109.994 -174.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.542 ' N ' HD23 ' A' ' 80' ' ' LEU . 3.1 t80 -76.22 98.92 4.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD23 HD22 ' A' ' 80' ' ' LEU . 76.1 mt -72.7 -17.19 61.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.372 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.4 78.91 0.44 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.237 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.35 165.87 30.85 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.58 -68.03 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.072 0.463 . . . . 0.0 111.393 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 p -85.95 -13.07 48.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HB3' HD21 ' A' ' 80' ' ' LEU . 18.1 m-70 68.43 148.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.088 -175.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -154.44 146.0 23.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.141 0.496 . . . . 0.0 109.98 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.929 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 28.7 m-70 -74.47 169.02 18.57 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -176.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 35.8 p90 -144.01 134.68 24.98 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.862 177.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.02 162.4 24.23 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.675 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -97.89 117.26 65.34 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 117.573 0.686 . . . . 0.0 111.409 -174.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 50' ' ' ILE . 62.6 Cg_endo -77.86 140.63 18.5 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.253 2.635 . . . . 0.0 113.164 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -141.59 170.59 15.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.24 158.54 25.13 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.6 ' O ' ' HA ' ' A' ' 2' ' ' TYR . 95.2 m-85 -137.64 -137.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.076 0.438 . . . . 0.0 110.86 -171.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 p -154.35 -36.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.792 0.33 . . . . 0.0 110.699 -174.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.9 p -131.65 151.42 51.64 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.853 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 7' ' ' GLU . 93.0 mtt180 -59.62 -38.67 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.703 177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -60.19 -37.36 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.922 -177.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.82 65.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.496 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 96' ' ' PHE . 44.5 tp -60.78 -36.85 80.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.4 5.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.242 178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 32.4 mtp85 -64.16 -31.32 72.47 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.762 ' CE2' HD22 ' A' ' 109' ' ' LEU . 83.8 t80 -55.86 -56.12 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.143 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.674 ' HB3' ' HA3' ' A' ' 111' ' ' GLY . 34.0 mt -56.65 -48.28 77.91 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.014 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -47.91 -31.24 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.51 -29.34 6.68 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.585 177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.762 HD22 ' CE2' ' A' ' 105' ' ' TYR . 23.3 tp -80.21 -0.47 36.39 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -175.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.573 ' HD1' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER 90.67 96.95 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 124.105 1.907 . . . . 0.0 109.562 -154.389 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.674 ' HA3' ' HB3' ' A' ' 106' ' ' LEU . . . -164.79 26.48 0.19 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 113.136 -1.847 . . . . 0.0 110.559 171.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 N--CA 1.413 -2.284 0 N-CA-C 105.375 -2.084 . . . . 0.0 105.375 -176.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.555 ' O ' ' HA ' ' A' ' 97' ' ' SER . 18.3 ttt . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 39.3 m-85 -105.23 -176.35 3.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.265 -175.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 99' ' ' ARG . 45.5 mt -97.32 159.35 14.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.262 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -87.86 150.98 49.1 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 12.0 Cg_endo -55.28 -45.95 36.39 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -60.13 -37.25 79.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.961 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.2 -42.56 88.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.28 -46.0 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.581 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.46 93.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.234 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.43 -42.1 95.39 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.017 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.19 -39.83 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.25 -48.18 82.84 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -60.21 -42.29 94.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.714 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.12 -44.73 94.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.769 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.514 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.0 22.72 2.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 113.129 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -82.58 166.9 18.83 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.944 0.402 . . . . 0.0 111.607 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.7 p -126.31 162.94 24.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.552 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.8 p -84.32 141.31 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.05 0.452 . . . . 0.0 111.303 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' HD3' ' A' ' 30' ' ' ARG . 11.6 t70 -101.3 -44.79 5.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA3' ' A' ' 28' ' ' GLY . 14.5 p -166.6 158.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.661 -175.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -121.75 130.07 74.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.706 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.1 p -137.49 156.95 47.56 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 173.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -62.71 -23.9 67.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.153 0.502 . . . . 0.0 110.169 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' SG ' ' A' ' 72' ' ' CYS . 50.2 mttm -86.64 -28.88 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -165.04 149.33 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.902 -0.719 . . . . 0.0 112.816 -174.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 87.1 m-85 -93.56 116.81 29.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.628 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.559 ' HA3' HG12 ' A' ' 21' ' ' VAL . . . -75.31 136.49 20.37 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.127 176.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -140.59 143.74 35.44 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.752 0.311 . . . . 0.0 110.349 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' ' OD2' ' A' ' 20' ' ' ASP . 31.4 ptt180 -155.95 153.32 29.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.223 0.535 . . . . 0.0 112.376 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -154.58 103.03 2.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.086 170.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.81 -126.76 7.89 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -174.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -97.17 10.47 39.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.465 0.65 . . . . 0.0 109.449 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -90.19 106.45 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.36 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -108.45 129.1 55.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.143 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 51' ' ' ILE . 15.4 m -136.57 152.56 29.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.694 175.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.489 ' HB2' ' HB ' ' A' ' 50' ' ' ILE . 93.4 m-85 -133.27 117.68 17.65 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 47.5 t -80.59 101.61 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 3.4 t-20 -62.98 111.4 2.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 -178.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -75.99 -6.47 51.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.537 0.684 . . . . 0.0 109.511 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -82.83 2.78 32.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.847 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' PRO . . . -69.44 105.15 2.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.363 173.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.4 mtt-85 -78.76 -52.72 7.98 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.868 -175.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mmt -134.8 14.2 3.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.625 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.579 ' HA3' ' HB2' ' A' ' 2' ' ' TYR . . . 117.55 20.14 4.75 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.264 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -114.72 99.47 7.54 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 p 81.29 109.91 0.07 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 112.124 -2.307 . . . . 0.0 108.302 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -161.89 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.242 -169.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.2 tp -108.74 106.2 16.13 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.581 175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 93' ' ' PRO . 23.8 mm -98.29 140.12 18.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 173.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 36' ' ' VAL . 30.4 pt -130.03 164.74 32.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.646 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -53.42 130.02 52.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.368 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 52.7 Cg_exo -56.78 -166.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.477 0.555 0 C-N-CA 123.309 2.672 . . . . 0.0 113.004 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 44.3 ttm-85 72.43 -46.34 0.64 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.077 0.465 . . . . 0.0 110.704 -174.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 109' ' ' LEU . 26.7 mt -75.12 8.37 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.785 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 60' ' ' SER . 85.6 tttt -58.44 -46.16 87.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.442 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.03 -51.14 65.59 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.373 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -61.46 -59.22 5.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.543 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -61.44 -24.35 66.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.141 -172.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 12.3 t -60.54 -29.31 69.06 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -85.43 8.74 17.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.033 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.33 -45.63 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.604 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.22 173.23 8.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 0.0 111.928 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 4.7 m-20 -96.77 118.65 64.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.753 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 2.8 Cg_exo -76.23 115.02 4.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.322 2.015 . . . . 0.0 110.785 171.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.29 62.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.49 0.662 . . . . 0.0 110.235 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.563 ' HB3' ' HG2' ' A' ' 93' ' ' PRO . 41.8 t -134.32 -117.84 0.19 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.251 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -157.85 -51.79 0.07 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.268 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 pt -141.52 143.53 27.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.247 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -128.87 108.08 10.15 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.365 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 88' ' ' GLU . 12.8 p -86.03 128.96 34.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.994 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.565 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 34.6 t -168.56 16.85 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 68.69 -40.04 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -78.06 -5.88 52.85 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 8.7 m-85 -105.27 68.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 110.118 -178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.587 ' HA ' ' HB3' ' A' ' 89' ' ' HIS . 24.8 pt20 -84.75 18.53 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.68 -171.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.83 99.34 0.24 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.444 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' HB2' ' HD2' ' A' ' 79' ' ' PRO . 92.6 m-85 44.09 -93.29 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.735 1.614 . . . . 0.0 115.237 173.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 78' ' ' PHE . 15.3 Cg_exo -25.36 -71.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 124.582 3.521 . . . . 0.0 115.197 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 87' ' ' HIS . 1.0 OUTLIER 69.4 123.84 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.644 0.735 . . . . 0.0 110.826 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 32.5 t80 -75.83 116.5 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.453 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.09 -8.46 36.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.75 0.309 . . . . 0.0 111.728 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.28 89.03 0.6 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.911 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.71 169.86 19.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.036 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 3.4 mp0 -61.35 -56.51 19.57 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -85.5 132.21 34.24 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.418 171.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB3' HD22 ' A' ' 80' ' ' LEU . 59.9 m170 -80.62 128.65 33.86 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 71' ' ' THR . 9.1 tp10 -103.11 124.23 48.16 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 121.65 0.738 . . . . 0.0 110.731 -164.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.587 ' HB3' ' HA ' ' A' ' 76' ' ' GLN . 39.9 m-70 -88.08 103.35 15.65 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -176.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -113.55 160.75 18.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.446 . . . . 0.0 111.705 -170.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.48 172.99 25.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 174.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 92' ' ' ILE . 3.9 mp -94.21 116.67 66.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.281 0.54 . . . . 0.0 110.547 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.563 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 58.4 Cg_endo -74.96 112.08 3.48 Favored 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.076 2.517 . . . . 0.0 112.906 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.33 -171.75 2.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.721 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 158.71 25.46 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 102' ' ' LEU . 91.2 m-85 -141.17 131.72 25.43 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 117.066 0.433 . . . . 0.0 110.541 -172.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 1' ' ' MET . 15.5 p -85.35 -8.38 58.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.5 t -156.49 145.38 20.23 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HA ' HD11 ' A' ' 3' ' ' LEU . 44.0 mtp180 -60.3 -39.27 86.36 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 8.6 tp -60.08 -31.83 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.04 75.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 96' ' ' PHE . 43.0 tp -64.47 -38.93 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.319 0.58 . . . . 0.0 109.957 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -60.07 -51.24 70.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.234 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 100' ' ' ILE . 39.7 mtp85 -70.63 -26.11 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.938 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -59.89 -51.86 67.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.177 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.34 -34.77 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.576 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -74.51 -32.55 62.55 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.055 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.08 -36.52 7.12 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.872 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 HD22 ' A' ' 55' ' ' LEU . 21.5 tp -81.04 -64.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.734 0.302 . . . . 0.0 111.751 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -92.04 -48.0 6.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.487 -171.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.41 43.59 2.79 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.847 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.7 t70 . . . . . 0 CA--C 1.506 -0.714 0 CA-C-O 122.107 0.956 . . . . 0.0 112.998 -174.149 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.927 0.394 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -126.37 -172.03 2.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.278 171.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -101.64 116.56 33.02 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -60.83 155.96 49.29 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.629 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' ALA . 11.5 Cg_endo -55.36 -32.22 80.62 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.104 1.869 . . . . 0.0 110.59 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.16 -45.51 92.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.672 174.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.06 -39.88 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.742 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 60.1 t -59.13 -54.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.05 79.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.978 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.611 ' HE ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.56 -49.81 75.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.138 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.35 -36.19 73.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.998 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 93.2 mt -59.11 -45.83 89.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.687 0.279 . . . . 0.0 110.65 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.15 -39.28 85.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -71.35 -24.12 62.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.158 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.54 19.87 3.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.574 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 83.58 2.65 89.97 Favored Glycine 0 C--N 1.328 0.134 0 C-N-CA 120.763 -0.732 . . . . 0.0 113.664 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 35.1 m-85 -75.62 157.77 33.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 0.0 111.852 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -126.37 152.42 46.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.105 176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.1 135.56 27.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 110.722 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 33.4 t70 -99.1 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.082 178.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 23' ' ' THR . 3.5 p -127.65 108.23 17.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.768 0.795 . . . . 0.0 110.743 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -88.58 113.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.33 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' A' ' 26' ' ' THR . 24.7 p -124.63 159.89 29.73 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.854 177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -72.37 -7.61 50.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.298 -173.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 22.7 ttmm -121.49 -8.98 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 109.992 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' A' ' 23' ' ' THR . 95.0 m -153.96 132.61 12.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.926 -168.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 42.0 m-85 -101.81 99.78 10.05 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 124.09 9.7 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -128.74 139.94 51.97 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.693 0.246 . . . . 0.0 110.965 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 9.8 ptt85 -146.52 156.96 43.65 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -173.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' GLY . 12.5 ttp85 -159.13 103.77 1.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.218 -1.355 . . . . 0.0 108.407 164.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.58 -137.16 17.07 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.64 5.04 44.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.74 0.781 . . . . 0.0 109.668 177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -90.13 100.32 13.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.284 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 22.6 m-85 -107.14 127.56 53.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.505 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 m -130.41 162.19 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.75 ' HE2' HD21 ' A' ' 77' ' ' ASN . 91.1 m-85 -132.37 125.31 30.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.859 0.361 . . . . 0.0 110.63 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 34.9 t -88.37 116.57 30.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.519 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.8 t-20 -78.27 114.13 16.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.82 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -77.6 -12.5 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.263 -174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -93.39 24.78 3.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.677 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.61 89.94 1.01 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.088 175.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -72.04 -28.71 63.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.945 -175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 66.2 mtt -124.48 6.35 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.54 14.53 67.18 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.044 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.65 -16.61 31.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.279 0.561 . . . . 0.0 110.618 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.5 p -143.55 99.66 3.46 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 39' ' ' ASN . . . -160.45 -31.74 0.06 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.347 -171.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.1 tp -97.94 89.73 4.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.484 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.472 HD11 ' HD3' ' A' ' 70' ' ' LYS . 77.9 mt -104.71 98.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.962 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.917 HG13 ' H ' ' A' ' 52' ' ' HIS . 22.1 pt -74.74 -93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.509 -169.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.917 ' H ' HG13 ' A' ' 51' ' ' ILE . 48.5 t-80 -173.51 144.55 1.1 Allowed Pre-proline 0 C--N 1.317 -0.812 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -172.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 79' ' ' PRO . 31.6 Cg_exo -60.33 -165.14 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.289 1.993 . . . . 0.0 111.258 172.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 23.4 ttt-85 73.3 -50.53 0.7 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.17 0.509 . . . . 0.0 110.668 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 58' ' ' ARG . 30.5 mt -87.5 14.76 7.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.897 -177.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -57.21 -43.88 83.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.243 0.339 . . . . 0.0 111.014 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.14 -53.69 41.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.028 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' HD2' HD22 ' A' ' 55' ' ' LEU . 25.7 ttm180 -61.58 -49.03 78.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.8 t -60.46 -37.39 80.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.313 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 t -60.74 -17.93 51.63 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.267 0.355 . . . . 0.0 111.378 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.41 4.52 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.209 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.61 -79.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 0.0 111.207 -178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.08 124.46 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.876 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 32.2 m-20 -68.9 127.34 93.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.373 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 64' ' ' ASP . 3.6 Cg_exo -81.2 130.22 7.14 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 123.13 2.553 . . . . 0.0 111.039 172.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.86 -49.94 22.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.412 0.625 . . . . 0.0 110.553 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.4 t -104.41 -106.36 0.29 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.613 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -157.1 -55.49 0.08 Allowed 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 108.713 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.72 140.35 15.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.157 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD3' HD11 ' A' ' 50' ' ' ILE . 83.5 tttt -121.84 120.48 34.66 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 90' ' ' TYR . 61.4 p -94.87 147.94 22.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.61 0.719 . . . . 0.0 112.237 -173.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 51.8 t -177.43 131.83 0.16 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -176.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.55 -1.54 1.27 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -167.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -83.24 -21.08 33.46 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.293 -0.255 . . . . 0.0 111.589 177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 72' ' ' CYS . 3.1 m-85 -95.42 75.06 3.32 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -172.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' HB2' ' CD2' ' A' ' 89' ' ' HIS . 34.1 tt0 -88.38 -72.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.154 -0.341 . . . . 0.0 110.395 178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.75 HD21 ' HE2' ' A' ' 37' ' ' TYR . 38.5 m-80 63.25 -77.23 0.03 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.543 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' HB3' ' HD3' ' A' ' 79' ' ' PRO . 64.9 t80 -160.37 -51.67 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.971 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.583 ' HG2' ' HG2' ' A' ' 53' ' ' PRO . 23.2 Cg_exo -67.13 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.462 2.108 . . . . 0.0 113.511 -174.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 87' ' ' HIS . 0.5 OUTLIER 68.06 123.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 O-C-N 123.749 0.655 . . . . 0.0 110.373 -176.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 87' ' ' HIS . 19.9 t80 -62.4 107.63 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.152 -177.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.06 99.94 9.46 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' HA3' ' OE2' ' A' ' 85' ' ' GLU . . . -150.57 -176.85 23.93 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.52 25.54 27.93 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.569 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 85' ' ' GLU . 1.3 mp0 -91.31 -71.07 0.65 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 t -162.07 11.26 0.08 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.402 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.543 ' HB3' HD22 ' A' ' 80' ' ' LEU . 8.6 m170 61.64 101.53 0.03 OUTLIER 'General case' 0 C--N 1.342 0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -169.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 mt-10 -94.32 119.02 32.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 111.565 -169.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 76' ' ' GLN . 9.5 m80 -69.21 101.15 1.41 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.224 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.449 ' HB3' HG22 ' A' ' 71' ' ' THR . 20.8 p90 -111.96 144.89 40.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.296 0.569 . . . . 0.0 111.98 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.09 168.87 22.81 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 172.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 11.5 mt -99.06 113.43 64.64 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 117.395 0.597 . . . . 0.0 110.565 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.44 124.94 5.47 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.25 2.634 . . . . 0.0 113.277 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -120.15 177.74 4.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.928 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.32 158.36 24.72 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.427 ' CE2' HD13 ' A' ' 102' ' ' LEU . 48.9 m-85 -143.34 -153.48 0.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.4 p -152.77 7.86 0.42 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.895 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.518 ' OG ' HG22 ' A' ' 100' ' ' ILE . 22.8 t -155.15 134.13 12.21 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.24 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.9 mtp85 -60.47 -42.15 95.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.179 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' OG ' ' A' ' 98' ' ' SER . 9.8 tp -61.11 -32.59 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.43 -48.44 75.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.901 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 50.6 tp -56.6 -39.25 73.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.384 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.98 -53.36 56.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.072 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 107' ' ' ASN . 58.5 mtp180 -68.59 -30.72 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.458 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -73.15 -42.66 62.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.009 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 94.3 mt -60.42 -35.31 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.524 0.678 . . . . 0.0 109.481 172.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 104' ' ' ARG . 24.0 t-20 -59.18 -53.49 57.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.312 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.38 -39.44 12.52 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.519 -0.764 . . . . 0.0 113.871 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.501 HD13 ' HG2' ' A' ' 58' ' ' ARG . 16.7 tp -73.84 -54.81 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.859 0.33 . . . . 0.0 111.545 -175.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.76 -46.59 7.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 107' ' ' ASN . . . 85.03 110.95 0.68 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.862 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 121.935 0.874 . . . . 0.0 110.667 176.497 . . . . . . . . 0 0 . 1 stop_ save_