data_2jw2_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 2jw2 _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 ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.854 0.359 . . . . 1.0 110.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.449 HH22 HE21 ' A' ' 38' ' ' GLN . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.449 HE21 HH22 ' A' ' 29' ' ' ARG . 17.0 mm-40 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' ALA . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 49' ' ' ILE . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ILE . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.879 0.371 . . . . 1.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.6 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' ALA . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 3.8 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.705 0.288 . . . . 1.0 110.433 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 3.6 mm-40 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' SER . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.556 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' ILE . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.687 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HZ2' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.824 0.345 . . . . 1.0 110.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' CG1' ' HZ2' ' A' ' 53' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' C ' HE22 ' A' ' 35' ' ' GLN . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.685 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.685 ' N ' HE21 ' A' ' 35' ' ' GLN . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 43' ' ' SER . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ILE . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.725 0.298 . . . . 1.0 110.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' OG1' ' A' ' 73' ' ' THR . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 78' ' ' ALA . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.827 0.346 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' PHE . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.521 HD22 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.521 ' CG1' HD22 ' A' ' 48' ' ' ASN . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 120.552 0.215 . . . . 1.0 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.643 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.643 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.508 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 25.2 mm-40 . . . . . 0 N--CA 1.456 -0.129 0 N-CA-C 110.175 -0.306 . . . . 1.0 110.175 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.645 ' HG ' HH12 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.645 HH12 ' HG ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' SER . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.563 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.0 OUTLIER -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' VAL . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HZ1' ' CG1' ' A' ' 64' ' ' VAL . 4.7 mtpm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.3 mm? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 1.0 110.402 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG1' ' HZ1' ' A' ' 53' ' ' LYS . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.652 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 72' ' ' ASN . 0.3 OUTLIER -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' ARG . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 77' ' ' CYS . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HZ3' ' CB ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.884 0.373 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' ND2' ' A' ' 48' ' ' ASN . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 1.0 110.507 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' OG1' ' A' ' 73' ' ' THR . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' CYS . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.794 0.33 . . . . 1.0 110.281 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLU . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' SER . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ILE . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.871 0.367 . . . . 1.0 110.691 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.622 ' CG1' ' HZ3' ' A' ' 53' ' ' LYS . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.607 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' LYS . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 78' ' ' ALA . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.359 . . . . 1.0 110.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 39' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 43' ' ' SER . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.603 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.0 OUTLIER -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 47' ' ' ILE . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ILE . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 53' ' ' LYS . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 1.0 110.465 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.583 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 49.9 t30 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 78' ' ' ALA . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.521 ' ND2' ' CD1' ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.583 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 43' ' ' SER . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' VAL . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' ILE . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.757 0.313 . . . . 1.0 110.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.472 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' OG1' ' A' ' 73' ' ' THR . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 73' ' ' THR . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 78' ' ' ALA . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.76 0.314 . . . . 1.0 110.298 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' OE1' ' CG ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' GLN . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' SER . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.583 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 1.0 110.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.799 0.333 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ILE . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 18.4 pttt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.778 0.323 . . . . 1.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.616 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 71' ' ' LEU . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 110.404 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.65 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.65 ' N ' HE21 ' A' ' 35' ' ' GLN . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.85 0.357 . . . . 1.0 110.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.605 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 77' ' ' CYS . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 HH21 ' HG ' ' A' ' 25' ' ' CYS . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 33' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 pp0? -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 50' ' ' VAL . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CG2' ' HZ2' ' A' ' 53' ' ' LYS . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.434 ' CG2' ' H ' ' A' ' 53' ' ' LYS . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' H ' ' CG2' ' A' ' 52' ' ' VAL . 17.5 mttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.819 0.342 . . . . 1.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 77' ' ' CYS . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.457 -0.093 0 N-CA-C 109.964 -0.384 . . . . 1.0 109.964 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.495 ' NE2' ' CG ' ' A' ' 36' ' ' TYR . 1.6 pp0? -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.495 ' CG ' ' NE2' ' A' ' 35' ' ' GLN . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 pttt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 1.0 110.631 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' ND2' ' HZ2' ' A' ' 76' ' ' LYS . 5.7 t-20 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HZ2' ' ND2' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.818 0.342 . . . . 1.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.558 ' CA ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.527 ' O ' ' N ' ' A' ' 43' ' ' SER . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' N ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 1.0 110.649 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 78' ' ' ALA . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.839 0.352 . . . . 1.0 110.157 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.593 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.562 ' ND2' ' HZ3' ' A' ' 76' ' ' LYS . 11.6 t-20 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' ARG . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HZ3' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -67.14 164.72 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.613 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -63.61 -18.57 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 46.0 m80 -81.91 61.49 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.88 115.73 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.553 ' N ' ' CD2' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -169.15 173.25 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.595 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.11 99.1 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 m -90.67 164.53 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -154.95 114.38 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -166.81 0.75 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -153.14 124.83 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 1.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 9.0 p -134.08 69.68 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.0 -63.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.771 2.314 . . . . 1.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -53.05 96.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.87 -80.41 0.11 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -76.24 -5.54 47.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 1.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.44 -29.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.7 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.494 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.6 mp -61.68 -31.52 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.144 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -67.95 -37.86 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.156 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.449 HH22 HE21 ' A' ' 38' ' ' GLN . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HH ' ' H ' ' A' ' 57' ' ' ASP . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.449 HE21 HH22 ' A' ' 29' ' ' ARG . 17.0 mm-40 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' ALA . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 49' ' ' ILE . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ILE . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -49.88 -22.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 50' ' ' VAL . 1.7 m-80 -95.23 -39.7 9.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.317 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -41.96 -68.23 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.164 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -111.5 -63.47 1.41 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' H ' ' HH ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -38.91 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 1.0 111.123 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.89 4.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.412 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -93.18 118.7 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' LEU . 14.7 mt-10 57.82 127.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.035 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.469 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 10.7 tptp -72.38 -29.05 63.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.346 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -15.3 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.205 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.43 -11.66 23.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.396 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.469 ' CG1' ' NZ ' ' A' ' 61' ' ' LYS . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.6 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' ALA . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -86.45 11.85 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 m -94.89 -12.86 26.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mtp 51.61 17.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.618 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.75 117.92 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -67.57 162.43 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.99 147.77 25.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 7' ' ' HIS . 0.6 OUTLIER -166.06 14.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.48 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.88 27.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 5' ' ' HIS . 2.4 m-70 52.53 -168.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.573 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -157.51 -143.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.01 126.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.97 107.82 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.79 118.42 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 1.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.02 73.02 71.39 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -81.37 160.54 19.93 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.862 2.374 . . . . 1.0 112.229 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.583 ' N ' ' HE ' ' A' ' 14' ' ' ARG . 2.9 mmp_? -63.88 -149.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.21 -144.23 15.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 p -77.19 9.52 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.497 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -41.56 -31.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.14 -70.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -19.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 3.8 mm-40 -71.63 -27.62 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.433 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.622 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 3.6 mm-40 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' SER . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.556 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' ILE . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.687 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HZ2' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -61.22 -34.79 75.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -85.96 -55.69 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.381 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.92 -68.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.6 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -61.48 -68.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.369 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 57.47 153.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.689 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 42.2 m-85 -149.62 31.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.443 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 59' ' ' LEU . 3.6 tt 62.63 -70.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.547 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' PHE . 3.3 mm-40 -40.32 102.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.689 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.552 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 8.6 tptp -74.49 -25.96 59.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.266 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -23.22 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.135 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.88 -19.67 23.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.552 ' CG1' ' NZ ' ' A' ' 61' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -55.57 -33.68 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -79.81 29.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.532 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.45 ' H ' ' C ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 46.5 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 79' ' ' SER . 14.0 tttp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.573 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 53.17 -178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -90.28 171.17 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.26 118.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -157.56 171.82 19.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -102.14 173.78 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -145.3 172.76 12.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.646 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -158.59 146.46 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.33 162.35 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.79 131.94 2.91 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.75 117.7 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 1.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.11 66.89 72.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 15' ' ' GLY . 62.0 Cg_endo -78.68 109.93 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.735 2.29 . . . . 1.0 112.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.71 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . 138.59 48.28 0.06 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 -8.65 54.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.387 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -42.27 -27.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.545 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ALA . 17.6 mm-40 -53.72 -70.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.7 mp -44.22 -39.75 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.051 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 -66.2 -41.05 90.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.063 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' GLU . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.611 ' CD2' ' NE2' ' A' ' 56' ' ' HIS . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.685 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.685 ' N ' HE21 ' A' ' 35' ' ' GLN . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 43' ' ' SER . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ILE . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -52.45 -25.48 10.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.97 -45.79 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.043 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -24.63 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.41 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -106.58 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.395 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.62 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 10.9 t0 54.58 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.4 m-85 56.21 171.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 ' CG ' ' H ' ' A' ' 60' ' ' GLU . 1.3 tp 39.44 -140.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.658 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' H ' ' CG ' ' A' ' 59' ' ' LEU . 57.2 mm-40 -112.39 -154.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -81.73 -3.19 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 5.7 t70 -81.91 -6.37 59.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.581 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.1 -2.12 5.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.632 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' OG1' ' A' ' 73' ' ' THR . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 78' ' ' ALA . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.33 3.4 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.43 -4.68 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.514 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.4 mmt 54.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.124 -0.941 . . . . 1.0 110.512 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.65 -70.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -161.64 159.68 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -84.09 100.5 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 5' ' ' HIS . 12.7 t-80 -144.84 9.53 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -101.1 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.59 ' CG ' ' H ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -84.44 -113.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.59 ' H ' ' CG ' ' A' ' 7' ' ' HIS . 6.9 m -157.68 80.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -137.02 98.59 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.11 149.21 18.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 154.71 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.95 71.78 73.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -81.01 -165.54 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.839 2.359 . . . . 1.0 112.172 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -140.55 15.6 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.483 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.14 -5.95 4.55 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.0 m -90.39 14.03 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.41 -27.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.707 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' SER . 13.4 mm-40 -67.87 -63.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.6 mt -55.34 -33.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.242 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.271 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' PHE . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.622 ' NE2' ' CE1' ' A' ' 56' ' ' HIS . 3.9 pp0? -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.521 HD22 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.521 ' CG1' HD22 ' A' ' 48' ' ' ASN . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.0 -18.74 5.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -93.74 -48.53 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -90.82 -60.34 1.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.273 -179.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CE1' ' NE2' ' A' ' 35' ' ' GLN . 5.7 t-80 -71.29 33.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.176 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' A' ' 55' ' ' ASP . 1.2 t70 -140.23 18.35 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.671 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.98 -23.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.69 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.1 tp -67.11 -177.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.362 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -45.58 153.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.272 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 63' ' ' LEU . 4.3 ttmm -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.19 -5.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 61' ' ' LYS . 1.9 tp -99.65 7.07 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.643 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.643 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.508 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.12 -6.02 56.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.9 m -56.07 -14.26 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt 71.53 153.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.509 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.11 143.39 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -145.14 114.26 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 25.7 m-70 -137.7 32.13 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.494 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -86.56 112.76 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.641 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -151.88 -112.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.555 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.564 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 34.5 m80 -48.05 103.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.84 100.0 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.0 95.15 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.12 76.91 0.34 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.76 103.74 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 1.0 110.571 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.7 t -134.17 66.78 72.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.721 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 15' ' ' GLY . 62.8 Cg_endo -78.88 175.22 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.874 2.383 . . . . 1.0 112.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 49.93 13.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 13' ' ' PRO . . . -72.16 -104.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.009 -0.837 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -88.56 3.64 49.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 1.0 110.716 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -49.24 -11.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 16' ' ' SER . 63.6 mm-40 -82.96 -70.04 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.627 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.7 mp -55.47 -22.04 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 1.0 110.064 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 25.2 mm-40 -72.66 -27.5 62.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.175 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.645 ' HG ' HH12 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.645 HH12 ' HG ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 56' ' ' HIS . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.677 HE22 ' CD2' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' SER . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.0 OUTLIER -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' VAL . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' C ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HZ1' ' CG1' ' A' ' 64' ' ' VAL . 4.7 mtpm? -46.54 -16.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' N ' ' C ' ' A' ' 52' ' ' VAL . 3.8 m-80 -94.62 -38.79 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.182 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.566 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -94.19 -62.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.489 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.677 ' CD2' HE22 ' A' ' 35' ' ' GLN . 6.6 m80 -67.68 33.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' A' ' 55' ' ' ASP . 9.4 p-10 -110.54 -100.12 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.739 0.304 . . . . 1.0 110.565 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 55' ' ' ASP . 31.1 m-85 39.26 52.45 2.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.673 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.45 48.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 1.0 110.159 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 65.42 160.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.643 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.51 -27.38 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.22 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.3 mm? -90.46 -28.05 18.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.402 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG1' ' HZ1' ' A' ' 53' ' ' LYS . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.652 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 72' ' ' ASN . 0.3 OUTLIER -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' ARG . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 77' ' ' CYS . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 71' ' ' LEU . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HZ3' ' CB ' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.5 -42.74 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -29.47 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.476 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt -62.77 -73.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.485 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.5 p-80 -163.89 45.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.19 176.89 5.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 6' ' ' HIS . 44.5 t-80 -151.75 120.77 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 3.5 m170 -92.57 139.72 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 4' ' ' HIS . 22.4 p-80 -175.43 72.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -87.33 113.94 23.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 141.71 32.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' ' CD2' ' A' ' 11' ' ' LEU . 1.9 t -146.41 135.72 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.544 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.51 71.99 0.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' CD2' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -105.29 127.6 53.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 1.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.06 68.99 74.78 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -79.9 167.39 20.29 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.838 2.359 . . . . 1.0 112.231 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -142.48 142.61 32.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 17' ' ' GLN . . . 108.77 -46.25 1.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -78.08 13.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 1.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -50.71 -26.65 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.54 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.16 -70.12 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.408 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.7 mp -48.23 -31.0 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.104 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.88 -46.18 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' ND2' ' A' ' 48' ' ' ASN . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.97 -12.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 52' ' ' VAL . 2.1 m-80 -94.18 -42.78 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 1.0 109.991 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.45 -68.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.488 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -47.75 -23.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.983 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.485 ' CG ' ' CZ ' ' A' ' 33' ' ' PHE . 51.5 t0 -141.24 126.87 18.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.008 0.432 . . . . 1.0 110.895 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 16.3 t80 -140.92 -11.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 1.0 109.948 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.42 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -40.65 156.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.589 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -70.09 -21.02 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.801 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' OD2' ' OE1' ' A' ' 60' ' ' GLU . 20.8 p30 -73.11 5.97 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.214 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' O ' ' OD2' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -128.09 -2.28 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.507 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' OG1' ' A' ' 73' ' ' THR . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' CYS . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.47 -13.58 61.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.93 22.66 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 77' ' ' CYS . 2.4 ptt? -71.29 174.58 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.67 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.605 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.465 ' C ' ' CG ' ' A' ' 3' ' ' HIS . 30.7 m80 -96.14 177.28 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.465 ' CG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -155.58 145.03 21.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.593 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -97.03 -174.62 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.2 m-70 41.97 74.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.529 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -63.48 -91.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.493 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 m -69.63 138.65 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.542 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -101.24 168.32 9.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.47 26.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.12 155.68 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 1.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.03 155.77 74.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 112.88 3.01 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.254 1.969 . . . . 1.0 112.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -155.73 80.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.487 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.84 29.87 55.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' GLU . 15.9 m -102.04 13.92 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 1.0 110.649 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -42.11 -22.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 16' ' ' SER . 28.9 mm-40 -73.52 -70.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.541 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 mp -49.75 -17.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.056 -0.35 . . . . 1.0 110.056 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.24 -36.11 58.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLU . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' SER . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ILE . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -49.28 -19.5 0.5 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 52' ' ' VAL . 1.5 m-80 -89.42 -43.53 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.019 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -7.78 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -46.07 -37.88 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.761 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' N ' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -174.71 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CZ ' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -146.52 25.85 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 1.0 110.168 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.581 ' N ' ' HE2' ' A' ' 56' ' ' HIS . 4.5 tp 54.17 103.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.555 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 64' ' ' VAL . 49.4 mt-10 -121.57 85.72 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.335 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -34.39 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.591 -179.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -84.43 -49.19 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 1.0 110.655 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -85.86 0.25 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.691 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.622 ' CG1' ' HZ3' ' A' ' 53' ' ' LYS . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.607 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' LYS . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 78' ' ' ALA . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' THR . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -60.54 -20.01 58.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.3 -37.66 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.3 mtp -145.37 131.07 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.615 ' CB ' ' HZ1' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.56 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 m80 42.35 85.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 15.9 p80 -77.67 72.17 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.35 163.75 12.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -166.25 -20.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.489 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 64.76 126.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.546 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.87 101.86 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -93.85 -70.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 46.68 57.25 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.518 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.09 0.46 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.69 157.13 18.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 1.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -134.03 75.69 65.83 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -51.37 148.0 20.57 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.66 2.24 . . . . 1.0 112.164 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -169.7 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.19 1.89 43.82 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -95.4 14.03 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.57 -23.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.0 mm-40 -77.94 -69.62 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.7 mp -51.29 -35.79 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.318 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.28 -41.68 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.168 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 39' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 43' ' ' SER . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.603 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.0 OUTLIER -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 47' ' ' ILE . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? -59.74 -45.49 92.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.665 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -77.85 -58.62 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.679 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -61.04 -59.59 5.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.881 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.517 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -70.59 7.73 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.882 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 55' ' ' ASP . 7.1 t70 -41.02 129.73 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 1.0 110.38 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.619 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -126.11 -78.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.675 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mt -80.41 -176.16 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 1.0 110.661 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.3 mp0 -54.13 -171.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.2 ttmm -77.45 -4.02 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.9 -41.69 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.98 8.97 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.465 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.583 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 49.9 t30 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 78' ' ' ALA . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.521 ' ND2' ' CD1' ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.583 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -78.43 -22.95 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -57.06 -36.2 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.469 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.421 ' O ' ' OXT' ' A' ' 81' ' ' LYS . 2.6 ttt 55.69 60.88 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' OXT' ' O ' ' A' ' 80' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.488 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.27 118.79 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.517 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -97.92 147.42 24.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.607 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.569 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -101.28 -76.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.48 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 54.32 107.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.598 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' HIS . 35.5 m80 -130.37 -28.01 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.438 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.7 OUTLIER 56.43 161.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -172.56 97.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -157.93 133.27 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.67 98.98 0.13 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.62 159.07 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 1.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.1 67.51 73.45 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.564 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.42 -88.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.771 2.314 . . . . 1.0 112.201 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -171.74 150.32 2.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.37 -78.94 0.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 11.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 1.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -21.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.27 -65.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.687 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -53.72 -34.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 1.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.68 -39.42 91.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.982 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.632 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 43' ' ' SER . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' VAL . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -62.53 -36.1 81.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.65 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -74.91 -58.35 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.487 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -37.54 -64.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.24 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -92.78 -65.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.737 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' CG ' ' A' ' 58' ' ' PHE . 3.7 t70 71.41 -49.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.093 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.632 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 7.9 m-85 75.16 135.76 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.821 0.344 . . . . 1.0 110.443 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.583 ' H ' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -38.2 -68.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.145 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.08 95.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.93 0.395 . . . . 1.0 110.5 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' LEU . 25.6 tptt -67.5 -34.08 76.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -9.3 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tp -101.12 -3.07 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.472 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' OG1' ' A' ' 73' ' ' THR . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 73' ' ' THR . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 78' ' ' ALA . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -67.68 -2.17 6.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.2 p -88.12 8.63 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -80.95 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tptp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.617 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.41 179.03 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.527 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.7 OUTLIER 50.23 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.603 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 5.1 t-80 -157.19 179.67 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 7' ' ' HIS . 1.2 t-80 -69.14 -50.48 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' HIS . 0.6 OUTLIER 75.12 -25.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.62 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.518 ' H ' ' C ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER 45.37 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.61 -160.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -143.68 176.62 9.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.535 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' N ' ' HG ' ' A' ' 9' ' ' SER . . . -105.97 40.0 2.65 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.7 123.08 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 1.0 110.627 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -134.26 66.87 72.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.551 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.54 158.63 28.8 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.761 2.307 . . . . 1.0 112.174 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.9 153.46 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 8.85 87.47 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 42.1 t -101.78 11.06 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.1 -0.24 . . . . 1.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -41.01 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.494 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' SER . 7.3 mm-40 -69.05 -70.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.333 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -57.75 -30.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.25 -41.46 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.298 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 58' ' ' PHE . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' OE1' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 56' ' ' HIS . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 43' ' ' SER . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.583 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CB ' ' NZ ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -42.47 -29.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -93.94 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 1.0 110.315 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 52' ' ' VAL . 30.0 t0 -65.48 -67.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.616 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -58.14 -3.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 55' ' ' ASP . 10.5 t70 46.27 75.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.454 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE2' ' CD2' ' A' ' 33' ' ' PHE . 2.1 m-85 -75.51 169.2 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.84 -112.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.692 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -41.08 148.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.696 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 4.7 tptp -85.91 -7.62 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.39 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -24.76 60.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.394 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.58 -16.12 20.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.308 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 ' CG1' ' NZ ' ' A' ' 61' ' ' LYS . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 69' ' ' ARG . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.64 13.08 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 t -95.03 -28.74 14.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.95 43.56 2.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.485 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.559 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -138.02 -53.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.39 142.06 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -164.16 20.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.72 145.08 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.546 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -162.97 -65.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 m80 43.09 86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -63.68 162.31 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.45 128.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.597 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.81 64.72 0.13 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.99 150.78 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 1.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.96 75.53 66.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.627 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.48 140.08 45.09 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.675 2.25 . . . . 1.0 112.052 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -63.35 171.84 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.62 -82.59 0.27 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.73 4.37 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.536 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -50.05 -25.97 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.41 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -44.72 -39.68 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.381 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -46.57 81.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.308 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 47' ' ' ILE . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 18.4 pttt -62.15 -46.97 86.6 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 1.3 m-80 -52.52 -50.27 63.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.771 -0.826 . . . . 1.0 108.771 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 57' ' ' ASP . 5.1 m-20 -65.32 -43.94 89.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.051 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -73.08 26.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.516 -0.311 . . . . 1.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 55' ' ' ASP . 5.2 m-20 -74.49 -2.94 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 1.0 110.473 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -42.96 -22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.4 tp -91.69 -156.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -76.99 152.51 35.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.677 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -45.23 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.405 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -63.86 -7.89 9.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.312 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.19 -16.07 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.616 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 71' ' ' LEU . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' SER . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 10.39 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 77' ' ' CYS . 16.6 t -98.49 1.91 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 51.5 mtt 43.16 -100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.556 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 12.0 ttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 1' ' ' MET . 79.4 m80 -158.41 -117.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -107.16 148.09 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 57.58 -142.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.527 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.46 -68.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.561 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.663 ' CD2' ' H ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -144.26 -114.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.582 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.571 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 1.6 m-70 -81.15 -36.27 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.663 ' H ' ' CD2' ' A' ' 6' ' ' HIS . 2.5 p 73.39 40.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.537 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m 45.66 -139.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.58 77.14 0.04 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.85 140.54 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 1.0 110.55 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.15 156.49 79.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' O ' ' OG ' ' A' ' 16' ' ' SER . 42.6 Cg_endo -70.09 -167.64 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.403 2.069 . . . . 1.0 112.072 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 57.17 171.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.64 85.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.1 m -101.99 10.47 39.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.683 0.278 . . . . 1.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -41.72 -31.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.84 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.469 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.79 -35.57 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 1.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -63.83 -45.62 88.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.404 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.65 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.65 ' N ' HE21 ' A' ' 35' ' ' GLN . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' ASP . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -42.58 -26.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' VAL . 4.3 t-20 -94.34 -24.6 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.347 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 52' ' ' VAL . 10.2 t70 -68.23 -57.39 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.756 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -73.4 27.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.751 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' ASP . 2.6 t70 79.92 -150.88 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -149.0 -3.29 0.44 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.067 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PHE . 2.2 pp -38.59 139.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.905 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 55.98 102.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.211 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.502 ' HZ2' ' CD ' ' A' ' 65' ' ' GLU . 13.8 tptp -75.48 -31.18 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.562 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -16.62 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.119 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mt -99.17 -27.03 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.364 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.605 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.605 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 77' ' ' CYS . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -72.91 -5.47 38.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -49.99 -39.61 41.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.43 -90.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' OXT' ' O ' ' A' ' 77' ' ' CYS . 15.0 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.561 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' H2 ' ' CE1' ' A' ' 3' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 43.81 71.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.584 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.446 ' CE1' ' H2 ' ' A' ' 1' ' ' MET . 19.9 m80 -98.92 147.89 24.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.578 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -142.03 173.34 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.46 104.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.93 -58.67 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CD2' ' H ' ' A' ' 8' ' ' SER . 7.2 t60 -163.25 -166.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.589 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -90.89 -162.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.538 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -95.16 154.63 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.45 -152.41 21.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 1.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -134.17 69.94 73.93 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.82 96.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.709 2.272 . . . . 1.0 112.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -175.22 78.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.81 89.21 0.55 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.47 ' H ' ' HG ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -88.49 14.0 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 1.0 110.476 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 73' ' ' THR . 3.2 mm-40 -49.63 -40.57 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.71 -70.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -43.31 -40.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.98 0.419 . . . . 1.0 110.068 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -45.77 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.057 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 HH21 ' HG ' ' A' ' 25' ' ' CYS . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 58' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 pp0? -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 50' ' ' VAL . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CG2' ' HZ2' ' A' ' 53' ' ' LYS . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' H ' ' C ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' ASP . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' H ' ' CG2' ' A' ' 52' ' ' VAL . 17.5 mttm -42.76 -34.02 0.85 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' VAL . 7.5 m-80 -91.83 -19.86 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 52' ' ' VAL . 25.9 t0 -68.51 -68.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.548 ' C ' ' H ' ' A' ' 58' ' ' PHE . 2.2 m80 -106.46 -67.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER 61.73 -2.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.712 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' H ' ' C ' ' A' ' 56' ' ' HIS . 23.8 m-85 41.78 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.619 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 3.3 mt -148.87 173.95 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.57 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' LEU . 3.3 tt0 59.73 124.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.55 -32.57 53.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -63.66 -9.0 11.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.208 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.18 -11.65 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.243 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 77' ' ' CYS . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -88.14 -21.41 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.32 -47.54 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.624 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.55 102.54 15.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 tttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.541 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' C ' ' H ' ' A' ' 3' ' ' HIS . 33.5 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -77.02 34.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 1' ' ' MET . 1.8 t60 -100.58 133.01 45.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -137.6 100.48 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -78.1 162.46 26.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -56.94 117.24 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.57 -52.23 2.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.536 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.84 160.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.28 142.13 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 -158.56 30.97 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.07 113.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.756 0.312 . . . . 1.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.07 156.95 78.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.36 157.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.346 2.031 . . . . 1.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -168.27 114.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.83 21.28 45.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -96.72 13.34 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 1.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.19 -24.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 24.2 mp0 -73.05 -70.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 1.7 mp -58.05 -30.55 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.344 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 -35.4 78.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.964 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.495 ' NE2' ' CG ' ' A' ' 36' ' ' TYR . 1.6 pp0? -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.495 ' CG ' ' NE2' ' A' ' 35' ' ' GLN . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' HIS . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 54' ' ' ASN . 14.2 pttt -61.0 -44.92 96.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 58.8 m-20 -63.76 -50.65 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 57' ' ' ASP . 3.2 t0 -66.3 -64.79 0.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.48 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.521 ' O ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 m-70 -63.82 2.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.639 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.0 t70 -39.53 129.26 1.91 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 56' ' ' HIS . 63.8 m-85 -122.07 -99.18 0.43 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.8 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 4.0 mm? -60.04 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.549 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' LEU . 2.6 mt-10 -54.33 -165.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.744 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.7 tptp -86.0 -5.71 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.63 -33.7 47.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.88 -2.29 56.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' CG1' ' NZ ' ' A' ' 61' ' ' LYS . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' ND2' ' HZ2' ' A' ' 76' ' ' LYS . 5.7 t-20 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HZ2' ' ND2' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.28 -16.93 59.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -85.9 2.87 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.676 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' SER . 12.3 mtp 57.32 157.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -95.07 111.42 23.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -101.01 -53.16 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.62 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 53.36 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -137.53 174.03 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.7 130.51 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -101.37 174.99 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.2 p -168.28 171.22 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.68 171.85 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.06 105.44 0.19 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -131.46 146.68 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 1.0 110.542 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.1 66.79 72.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.25 155.2 28.97 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.745 2.297 . . . . 1.0 112.17 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -95.01 161.94 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.81 30.0 2.19 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.02 13.15 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.62 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' NE2' ' NZ ' ' A' ' 76' ' ' LYS . 41.4 tp60 -41.45 -25.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' SER . 11.8 mm-40 -77.03 -68.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.97 -15.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.296 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 18' ' ' GLU . 40.1 mt-10 -73.09 -28.76 62.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.297 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.558 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.527 ' O ' ' N ' ' A' ' 43' ' ' SER . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.594 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' N ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.63 -25.01 2.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -93.53 -15.7 25.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.243 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' C ' ' H ' ' A' ' 57' ' ' ASP . 43.2 m-20 -97.29 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.553 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -51.35 -9.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.4 t0 54.92 84.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CG ' ' CG2' ' A' ' 64' ' ' VAL . 42.1 p90 -55.17 152.46 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.73 -67.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.1 36.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.9 OUTLIER -49.87 -49.48 49.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.464 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -3.84 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.229 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 61' ' ' LYS . 3.0 tp -100.25 2.23 42.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.649 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.48 ' CG2' ' CG ' ' A' ' 58' ' ' PHE . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 78' ' ' ALA . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.508 ' NZ ' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -65.03 -19.04 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -15.86 60.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mtt 48.7 -130.47 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 mptt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.553 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.431 ' N ' ' ND1' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -138.18 -162.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.602 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.22 100.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.11 -166.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 50.25 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.25 32.78 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 132.27 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.632 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.99 125.59 54.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.541 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.83 51.54 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.22 115.58 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 1.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 21.4 m -134.29 66.77 71.73 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -79.0 162.68 26.13 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.748 2.299 . . . . 1.0 112.165 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.46 151.55 32.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.48 -47.63 1.43 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.74 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.717 0.294 . . . . 1.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.42 -19.9 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.478 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.13 -64.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.07 -26.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.149 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.29 -31.0 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.157 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.593 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.66 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.599 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -90.54 -47.39 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.659 . . . . 1.0 110.595 -179.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 21.4 t70 -64.71 -66.93 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.309 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.515 ' C ' ' H ' ' A' ' 58' ' ' PHE . 8.2 m-70 -64.23 -73.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.631 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 m-20 -69.71 36.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.642 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 35.93 -87.81 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.249 0.343 . . . . 1.0 111.196 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.2 mt -162.88 111.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.408 . . . . 1.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 62' ' ' ASP . 5.9 mt-10 -145.45 64.33 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.692 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.39 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.395 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -85.47 -49.8 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 1.0 110.533 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -86.86 -0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.841 -179.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 60' ' ' GLU . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.562 ' ND2' ' HZ3' ' A' ' 76' ' ' LYS . 11.6 t-20 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' ARG . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HZ3' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -77.93 -1.84 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -80.56 -37.13 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt 42.46 79.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.669 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 73' ' ' THR . 3.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.854 0.359 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 74' ' ' LEU . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.71 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 33' ' ' PHE . 3.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.879 0.371 . . . . 1.0 110.396 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.619 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.619 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD23 ' CE2' ' A' ' 45' ' ' PHE . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 20' ' ' GLU . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.669 ' CB ' HG21 ' A' ' 73' ' ' THR . 3.8 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.705 0.288 . . . . 1.0 110.433 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 36' ' ' TYR . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.613 ' CD1' HD22 ' A' ' 74' ' ' LEU . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.742 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.742 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.824 0.345 . . . . 1.0 110.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HZ3' ' A' ' 53' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD23 ' CE2' ' A' ' 45' ' ' PHE . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 5.0 m-20 -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' CB ' ' A' ' 20' ' ' GLU . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.662 ' NH1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.783 ' HA ' HE22 ' A' ' 35' ' ' GLN . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.783 HE22 ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 39' ' ' LEU . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.672 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 75' ' ' ASN . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.725 0.298 . . . . 1.0 110.632 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 71' ' ' LEU . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.464 HG21 ' HB3' ' A' ' 20' ' ' GLU . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 40' ' ' TYR . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.84 HD22 HD11 ' A' ' 49' ' ' ILE . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.827 0.346 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' CYS . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 63' ' ' LEU . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HB3' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG11 ' OH ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 120.552 0.215 . . . . 1.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.657 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.657 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' CB ' HG21 ' A' ' 73' ' ' THR . 25.2 mm-40 . . . . . 0 N--CA 1.456 -0.129 0 N-CA-C 110.175 -0.306 . . . . 1.0 110.175 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 36' ' ' TYR . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.874 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.649 ' OH ' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.62 ' CE1' HD22 ' A' ' 74' ' ' LEU . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD11 HD22 ' A' ' 75' ' ' ASN . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG11 ' OH ' ' A' ' 36' ' ' TYR . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HZ3' ' HB3' ' A' ' 53' ' ' LYS . 4.7 mtpm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.874 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.3 mm? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 1.0 110.402 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 71' ' ' LEU . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.612 HD22 ' CE1' ' A' ' 36' ' ' TYR . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.712 HG21 ' CB ' ' A' ' 20' ' ' GLU . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.62 HD22 ' CE1' ' A' ' 40' ' ' TYR . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.483 HD22 HD11 ' A' ' 49' ' ' ILE . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.884 0.373 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.9 mm-40 -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CE1' HD22 ' A' ' 74' ' ' LEU . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' PRO . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' O ' HG13 ' A' ' 52' ' ' VAL . 21.7 t-20 -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 1.0 110.507 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 45' ' ' PHE . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.672 ' CB ' HG21 ' A' ' 73' ' ' THR . 33.5 mt-10 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.794 0.33 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 36' ' ' TYR . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 28' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 74' ' ' LEU . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 75' ' ' ASN . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.871 0.367 . . . . 1.0 110.691 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG1' ' NZ ' ' A' ' 53' ' ' LYS . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.623 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.623 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.672 HG21 ' CB ' ' A' ' 20' ' ' GLU . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.589 HD22 HD11 ' A' ' 49' ' ' ILE . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.2 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.359 . . . . 1.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 36' ' ' TYR . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 29' ' ' ARG . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 63' ' ' LEU . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 71' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.618 ' CD1' HD22 ' A' ' 74' ' ' LEU . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.66 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . 46.6 p-10 -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 75' ' ' ASN . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.46 ' N ' HG22 ' A' ' 49' ' ' ILE . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' ASN . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 1.0 110.465 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 45' ' ' PHE . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 16.3 t-20 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 20' ' ' GLU . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 40' ' ' TYR . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 73' ' ' THR . 11.2 mm-40 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 36' ' ' TYR . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.469 ' CE2' HD23 ' A' ' 63' ' ' LEU . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.634 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.735 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 72' ' ' ASN . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 50' ' ' VAL . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD23 ' CE2' ' A' ' 33' ' ' PHE . 3.3 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.757 0.313 . . . . 1.0 110.451 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.517 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 71' ' ' LEU . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.706 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.76 0.314 . . . . 1.0 110.298 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.664 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 24' ' ' ALA . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.65 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' OE1' ' CG ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' GLN . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 2.2 mm-40 -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' HD22 ' A' ' 74' ' ' LEU . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.847 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.803 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.803 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' VAL . 2.3 p30 -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 72' ' ' ASN . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' H ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.65 HD22 ' HB1' ' A' ' 31' ' ' ALA . 7.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.847 HD23 ' CE2' ' A' ' 45' ' ' PHE . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.636 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.414 ' HA ' ' HZ3' ' A' ' 76' ' ' LYS . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.799 0.333 . . . . 1.0 110.308 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD13 ' A' ' 74' ' ' LEU . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 52' ' ' VAL . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.847 HD11 ' ND2' ' A' ' 75' ' ' ASN . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.605 ' N ' HG23 ' A' ' 52' ' ' VAL . 18.4 pttt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.778 0.323 . . . . 1.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.626 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.626 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 45' ' ' PHE . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.847 ' ND2' HD11 ' A' ' 49' ' ' ILE . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 110.404 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 36' ' ' TYR . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.791 ' HA ' HE22 ' A' ' 35' ' ' GLN . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.791 HE22 ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.704 ' CE1' HD22 ' A' ' 74' ' ' LEU . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' VAL . 5.9 p30 -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.536 HG23 ' H ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 31' ' ' ALA . 3.9 mt . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.85 0.357 . . . . 1.0 110.364 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.614 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.614 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 45' ' ' PHE . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' CE1' ' A' ' 40' ' ' TYR . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' CE2' ' A' ' 27' ' ' TRP . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 33' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.692 ' CE1' HD22 ' A' ' 74' ' ' LEU . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.652 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 51' ' ' ALA . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 49' ' ' ILE . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' H ' ' HB3' ' A' ' 48' ' ' ASN . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 53' ' ' LYS . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 52' ' ' VAL . 17.5 mttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.819 0.342 . . . . 1.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 71' ' ' LEU . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 45' ' ' PHE . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD22 ' CE1' ' A' ' 40' ' ' TYR . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 49' ' ' ILE . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.457 -0.093 0 N-CA-C 109.964 -0.384 . . . . 1.0 109.964 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 36' ' ' TYR . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.689 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.4 t-20 -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 50' ' ' VAL . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 53' ' ' LYS . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.609 ' N ' HG23 ' A' ' 52' ' ' VAL . 14.2 pttt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 1.0 110.631 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 36' ' ' TYR . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HB3' HG21 ' A' ' 73' ' ' THR . 40.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.818 0.342 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.651 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 74' ' ' LEU . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.81 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.651 ' O ' HG23 ' A' ' 47' ' ' ILE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.587 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 31' ' ' ALA . 3.0 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 1.0 110.649 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' CE2' ' A' ' 45' ' ' PHE . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.698 HG21 ' HB3' ' A' ' 20' ' ' GLU . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 40' ' ' TYR . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 73' ' ' THR . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.839 0.352 . . . . 1.0 110.157 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 36' ' ' TYR . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.669 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.7 pp0? -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.669 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.744 ' O ' HG23 ' A' ' 47' ' ' ILE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 45' ' ' PHE . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 20' ' ' GLU . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -67.14 164.72 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.613 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -63.61 -18.57 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 46.0 m80 -81.91 61.49 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.88 115.73 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.15 173.25 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.595 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.11 99.1 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 m -90.67 164.53 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -154.95 114.38 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -166.81 0.75 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -153.14 124.83 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 1.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 12' ' ' VAL . 9.0 p -134.08 69.68 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.0 -63.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.771 2.314 . . . . 1.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -53.05 96.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.87 -80.41 0.11 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -76.24 -5.54 47.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 1.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.44 -29.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.7 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.494 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -61.68 -31.52 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.144 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 73' ' ' THR . 3.1 mm-40 -67.95 -37.86 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.156 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 74' ' ' LEU . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.71 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -49.88 -22.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -95.23 -39.7 9.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.317 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -41.96 -68.23 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.164 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -111.5 -63.47 1.41 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -38.91 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 1.0 111.123 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.89 4.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.412 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -93.18 118.7 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' LEU . 14.7 mt-10 57.82 127.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.035 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.61 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 10.7 tptp -72.38 -29.05 63.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.346 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -15.3 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.205 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 33' ' ' PHE . 3.3 mt -97.43 -11.66 23.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.619 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.619 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD23 ' CE2' ' A' ' 45' ' ' PHE . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 20' ' ' GLU . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -86.45 11.85 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 m -94.89 -12.86 26.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mtp 51.61 17.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.618 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -81.75 117.92 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -67.57 162.43 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.99 147.77 25.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 7' ' ' HIS . 0.6 OUTLIER -166.06 14.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.48 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.88 27.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' HIS . 2.4 m-70 52.53 -168.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.573 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -157.51 -143.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.01 126.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.97 107.82 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.79 118.42 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 1.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.02 73.02 71.39 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -81.37 160.54 19.93 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.862 2.374 . . . . 1.0 112.229 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.615 ' HE ' ' N ' ' A' ' 14' ' ' ARG . 2.9 mmp_? -63.88 -149.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.21 -144.23 15.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 p -77.19 9.52 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.497 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' CD ' HG23 ' A' ' 73' ' ' THR . 13.4 tp60 -41.56 -31.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.14 -70.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -19.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.669 ' CB ' HG21 ' A' ' 73' ' ' THR . 3.8 mm-40 -71.63 -27.62 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.433 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 36' ' ' TYR . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.622 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.613 ' CD1' HD22 ' A' ' 74' ' ' LEU . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.742 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.742 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -61.22 -34.79 75.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -85.96 -55.69 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.381 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.92 -68.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -61.48 -68.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.369 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 57.47 153.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.689 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 42.2 m-85 -149.62 31.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.443 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 59' ' ' LEU . 3.6 tt 62.63 -70.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.547 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' PHE . 3.3 mm-40 -40.32 102.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.689 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.771 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 8.6 tptp -74.49 -25.96 59.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.266 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -23.22 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.135 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.88 -19.67 23.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.771 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD23 ' CE2' ' A' ' 45' ' ' PHE . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 5.0 m-20 -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' CB ' ' A' ' 20' ' ' GLU . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -55.57 -33.68 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -79.81 29.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.532 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.415 ' H ' ' C ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 46.5 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 79' ' ' SER . 14.0 tttp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.573 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 53.17 -178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -90.28 171.17 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.26 118.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -157.56 171.82 19.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -102.14 173.78 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -145.3 172.76 12.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.646 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -158.59 146.46 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.33 162.35 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.79 131.94 2.91 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.75 117.7 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 1.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.11 66.89 72.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 15' ' ' GLY . 62.0 Cg_endo -78.68 109.93 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.735 2.29 . . . . 1.0 112.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.71 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . 138.59 48.28 0.06 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 -8.65 54.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.387 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' NE2' HG23 ' A' ' 73' ' ' THR . 6.0 tp60 -42.27 -27.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.545 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ALA . 17.6 mm-40 -53.72 -70.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -44.22 -39.75 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.051 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 -66.2 -41.05 90.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.063 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' GLU . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.662 ' NH1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.783 ' HA ' HE22 ' A' ' 35' ' ' GLN . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.783 HE22 ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 39' ' ' LEU . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.672 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 75' ' ' ASN . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -52.45 -25.48 10.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -87.97 -45.79 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.043 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -24.63 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.41 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -106.58 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.395 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.62 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 10.9 t0 54.58 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.4 m-85 56.21 171.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 63' ' ' LEU . 1.3 tp 39.44 -140.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.658 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 57.2 mm-40 -112.39 -154.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -81.73 -3.19 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 5.7 t70 -81.91 -6.37 59.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.581 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 1.1 mp -128.1 -2.12 5.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.632 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 60' ' ' GLU . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 71' ' ' LEU . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.54 HG23 ' NE2' ' A' ' 17' ' ' GLN . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 40' ' ' TYR . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.84 HD22 HD11 ' A' ' 49' ' ' ILE . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.33 3.4 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.43 -4.68 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.514 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.4 mmt 54.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.124 -0.941 . . . . 1.0 110.512 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.65 -70.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -161.64 159.68 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -84.09 100.5 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 5' ' ' HIS . 12.7 t-80 -144.84 9.53 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -101.1 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -84.44 -113.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 7' ' ' HIS . 6.9 m -157.68 80.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -137.02 98.59 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.11 149.21 18.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -82.37 154.71 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.563 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 33.9 m -133.95 71.78 73.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.57 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -81.01 -165.54 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.839 2.359 . . . . 1.0 112.172 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -140.55 15.6 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.483 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.14 -5.95 4.55 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.0 m -90.39 14.03 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -41.41 -27.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.707 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' SER . 13.4 mm-40 -67.87 -63.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.6 mt -55.34 -33.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.242 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.271 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' CYS . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 63' ' ' LEU . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.473 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HB3' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.0 -18.74 5.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -93.74 -48.53 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -90.82 -60.34 1.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.273 -179.298 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.482 ' N ' ' CG ' ' A' ' 55' ' ' ASP . 5.7 t-80 -71.29 33.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.176 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.2 t70 -140.23 18.35 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.671 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.98 -23.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.69 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 HD22 ' A' ' 63' ' ' LEU . 1.1 tp -67.11 -177.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.362 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -45.58 153.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.272 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 63' ' ' LEU . 4.3 ttmm -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.19 -5.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 59' ' ' LEU . 1.9 tp -99.65 7.07 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.657 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.657 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.12 -6.02 56.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.9 m -56.07 -14.26 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt 71.53 153.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.509 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.11 143.39 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -145.14 114.26 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 25.7 m-70 -137.7 32.13 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.494 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -86.56 112.76 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.641 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -151.88 -112.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.555 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 34.5 m80 -48.05 103.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.84 100.0 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.0 95.15 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.12 76.91 0.34 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.76 103.74 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 1.0 110.571 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 12' ' ' VAL . 91.7 t -134.17 66.78 72.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.721 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' C ' ' N ' ' A' ' 15' ' ' GLY . 62.8 Cg_endo -78.88 175.22 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.874 2.383 . . . . 1.0 112.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 49.93 13.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' PRO . . . -72.16 -104.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.009 -0.837 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -88.56 3.64 49.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 1.0 110.716 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.52 ' OE1' HG23 ' A' ' 73' ' ' THR . 3.4 mm100 -49.24 -11.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 16' ' ' SER . 63.6 mm-40 -82.96 -70.04 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.627 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -55.47 -22.04 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 1.0 110.064 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' CB ' HG21 ' A' ' 73' ' ' THR . 25.2 mm-40 -72.66 -27.5 62.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.175 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 36' ' ' TYR . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.874 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 56' ' ' HIS . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.649 ' OH ' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.62 ' CE1' HD22 ' A' ' 74' ' ' LEU . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD11 HD22 ' A' ' 75' ' ' ASN . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG11 ' OH ' ' A' ' 36' ' ' TYR . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HZ3' ' HB3' ' A' ' 53' ' ' LYS . 4.7 mtpm? -46.54 -16.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' N ' ' C ' ' A' ' 52' ' ' VAL . 3.8 m-80 -94.62 -38.79 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.182 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -94.19 -62.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.489 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 33' ' ' PHE . 6.6 m80 -67.68 33.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 9.4 p-10 -110.54 -100.12 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.739 0.304 . . . . 1.0 110.565 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 55' ' ' ASP . 31.1 m-85 39.26 52.45 2.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.673 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.45 48.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 1.0 110.159 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 65.42 160.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -76.3 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.643 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.51 -27.38 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.22 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.874 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.3 mm? -90.46 -28.05 18.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.402 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 71' ' ' LEU . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.612 HD22 ' CE1' ' A' ' 36' ' ' TYR . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.712 HG21 ' CB ' ' A' ' 20' ' ' GLU . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.62 HD22 ' CE1' ' A' ' 40' ' ' TYR . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.483 HD22 HD11 ' A' ' 49' ' ' ILE . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HZ2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.5 -42.74 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -29.47 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.476 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt -62.77 -73.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.485 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.5 p-80 -163.89 45.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.19 176.89 5.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 6' ' ' HIS . 44.5 t-80 -151.75 120.77 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -92.57 139.72 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 4' ' ' HIS . 22.4 p-80 -175.43 72.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -87.33 113.94 23.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 141.71 32.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' ' CD2' ' A' ' 11' ' ' LEU . 1.9 t -146.41 135.72 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.544 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.51 71.99 0.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' CD2' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -105.29 127.6 53.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 1.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.06 68.99 74.78 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -79.9 167.39 20.29 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.838 2.359 . . . . 1.0 112.231 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -142.48 142.61 32.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.77 -46.25 1.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -78.08 13.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 1.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 73' ' ' THR . 9.0 mm-40 -50.71 -26.65 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.54 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.16 -70.12 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.408 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -48.23 -31.0 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.104 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.88 -46.18 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.9 mm-40 -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CE1' HD22 ' A' ' 74' ' ' LEU . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' PRO . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' O ' HG13 ' A' ' 52' ' ' VAL . 21.7 t-20 -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.97 -12.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' C ' ' A' ' 52' ' ' VAL . 4.1 m120 -94.18 -42.78 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 1.0 109.991 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.45 -68.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.488 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -47.75 -23.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.983 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.485 ' CG ' ' CZ ' ' A' ' 33' ' ' PHE . 51.5 t0 -141.24 126.87 18.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.008 0.432 . . . . 1.0 110.895 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 16.3 t80 -140.92 -11.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 1.0 109.948 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.42 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -40.65 156.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.589 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -21.02 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.801 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' OD2' ' OE1' ' A' ' 60' ' ' GLU . 20.8 p30 -73.11 5.97 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.214 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -128.09 -2.28 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.507 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 45' ' ' PHE . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.573 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.47 -13.58 61.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.93 22.66 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 77' ' ' CYS . 2.4 ptt? -71.29 174.58 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.67 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.605 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.465 ' C ' ' CG ' ' A' ' 3' ' ' HIS . 30.7 m80 -96.14 177.28 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.465 ' CG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -155.58 145.03 21.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.593 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -97.03 -174.62 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.2 m-70 41.97 74.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.529 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -63.48 -91.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.493 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 m -69.63 138.65 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.542 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -101.24 168.32 9.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.47 26.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.12 155.68 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 1.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.03 155.77 74.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 112.88 3.01 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.254 1.969 . . . . 1.0 112.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -155.73 80.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.487 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.84 29.87 55.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' GLU . 15.9 m -102.04 13.92 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 1.0 110.649 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -42.11 -22.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 16' ' ' SER . 28.9 mm-40 -73.52 -70.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.541 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.2 mp -49.75 -17.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.056 -0.35 . . . . 1.0 110.056 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.672 ' CB ' HG21 ' A' ' 73' ' ' THR . 33.5 mt-10 -76.24 -36.11 58.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.281 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 36' ' ' TYR . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 28' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 74' ' ' LEU . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 75' ' ' ASN . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -49.28 -19.5 0.5 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 52' ' ' VAL . 3.1 m120 -89.42 -43.53 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.019 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -7.78 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -46.07 -37.88 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.761 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' N ' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -174.71 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CZ ' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -146.52 25.85 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 1.0 110.168 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 4.5 tp 54.17 103.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.555 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 64' ' ' VAL . 49.4 mt-10 -121.57 85.72 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.335 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -34.39 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.591 -179.392 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -84.43 -49.19 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 1.0 110.655 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -85.86 0.25 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.691 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' H ' ' A' ' 60' ' ' GLU . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.623 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.623 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.672 HG21 ' CB ' ' A' ' 20' ' ' GLU . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.589 HD22 HD11 ' A' ' 49' ' ' ILE . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -60.54 -20.01 58.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.3 -37.66 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.3 mtp -145.37 131.07 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.56 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 m80 42.35 85.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 15.9 p80 -77.67 72.17 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.35 163.75 12.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' H ' ' H ' ' A' ' 6' ' ' HIS . 10.1 t60 -166.25 -20.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.489 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' H ' ' H ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER 64.76 126.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.546 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.87 101.86 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -93.85 -70.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 46.68 57.25 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.518 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.09 0.46 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.69 157.13 18.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 1.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.7 p -134.03 75.69 65.83 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -51.37 148.0 20.57 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.66 2.24 . . . . 1.0 112.164 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -169.7 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.19 1.89 43.82 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -95.4 14.03 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -41.57 -23.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.547 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.0 mm-40 -77.94 -69.62 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -51.29 -35.79 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.318 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.2 mt-10 -67.28 -41.68 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.168 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 36' ' ' TYR . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 29' ' ' ARG . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 71' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.618 ' CD1' HD22 ' A' ' 74' ' ' LEU . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.66 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' VAL . 46.6 p-10 -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 75' ' ' ASN . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' N ' HG22 ' A' ' 49' ' ' ILE . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' ASN . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? -59.74 -45.49 92.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.2 m120 -77.85 -58.62 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.679 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -61.04 -59.59 5.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.881 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.517 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -70.59 7.73 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.882 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 55' ' ' ASP . 7.1 t70 -41.02 129.73 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 1.0 110.38 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.619 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -126.11 -78.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.675 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 63' ' ' LEU . 4.2 mt -80.41 -176.16 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 1.0 110.661 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.3 mp0 -54.13 -171.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.2 ttmm -77.45 -4.02 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.9 -41.69 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -88.98 8.97 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.465 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 45' ' ' PHE . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 16.3 t-20 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 20' ' ' GLU . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 40' ' ' TYR . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -78.43 -22.95 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -57.06 -36.2 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.469 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.421 ' O ' ' OXT' ' A' ' 81' ' ' LYS . 2.6 ttt 55.69 60.88 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' OXT' ' O ' ' A' ' 80' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.488 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.27 118.79 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.517 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -97.92 147.42 24.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.607 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -101.28 -76.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.48 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.1 OUTLIER 54.32 107.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.598 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' HIS . 35.5 m80 -130.37 -28.01 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.438 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.7 OUTLIER 56.43 161.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -172.56 97.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -157.93 133.27 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.67 98.98 0.13 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.62 159.07 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 1.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.4 m -134.1 67.51 73.45 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.42 -88.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.771 2.314 . . . . 1.0 112.201 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -171.74 150.32 2.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.37 -78.94 0.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 11.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 1.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.58 -21.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.27 -65.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.687 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -53.72 -34.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 1.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 73' ' ' THR . 11.2 mm-40 -65.68 -39.42 91.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.982 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 36' ' ' TYR . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.632 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.634 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.735 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 72' ' ' ASN . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 50' ' ' VAL . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -62.53 -36.1 81.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.91 -58.35 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.487 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -37.54 -64.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.24 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -92.78 -65.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.737 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' CG ' ' A' ' 58' ' ' PHE . 3.7 t70 71.41 -49.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.093 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.632 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 7.9 m-85 75.16 135.76 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.821 0.344 . . . . 1.0 110.443 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -38.2 -68.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.145 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.08 95.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.93 0.395 . . . . 1.0 110.5 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' LEU . 25.6 tptt -67.5 -34.08 76.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -9.3 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD23 ' CE2' ' A' ' 33' ' ' PHE . 3.3 tp -101.12 -3.07 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.517 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 71' ' ' LEU . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.706 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -67.68 -2.17 6.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.2 p -88.12 8.63 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -80.95 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tptp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.617 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.41 179.03 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.527 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER 50.23 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.603 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 5.1 t-80 -157.19 179.67 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' C ' ' H ' ' A' ' 7' ' ' HIS . 1.2 t-80 -69.14 -50.48 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' HIS . 0.6 OUTLIER 75.12 -25.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.62 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER 45.37 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.61 -160.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.68 176.62 9.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.97 40.0 2.65 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.7 123.08 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 1.0 110.627 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 12' ' ' VAL . 85.8 t -134.26 66.87 72.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.551 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.54 158.63 28.8 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.761 2.307 . . . . 1.0 112.174 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.9 153.46 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 8.85 87.47 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 42.1 t -101.78 11.06 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.1 -0.24 . . . . 1.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -41.01 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.494 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' SER . 7.3 mm-40 -69.05 -70.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.333 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -57.75 -30.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.25 -41.46 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.298 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 24' ' ' ALA . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.65 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 58' ' ' PHE . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' OE1' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 56' ' ' HIS . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 2.2 mm-40 -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' HD22 ' A' ' 74' ' ' LEU . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.847 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.803 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.803 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' VAL . 2.3 p30 -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 72' ' ' ASN . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -42.47 -29.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -93.94 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 1.0 110.315 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 52' ' ' VAL . 30.0 t0 -65.48 -67.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.616 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -58.14 -3.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 55' ' ' ASP . 10.5 t70 46.27 75.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.454 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE2' ' CD2' ' A' ' 33' ' ' PHE . 2.1 m-85 -75.51 169.2 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.84 -112.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.692 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 64' ' ' VAL . 3.7 pt-20 -41.08 148.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.696 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.656 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 4.7 tptp -85.91 -7.62 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.39 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -24.76 60.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.394 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.65 HD22 ' HB1' ' A' ' 31' ' ' ALA . 7.0 mt -97.58 -16.12 20.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.308 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.847 HD23 ' CE2' ' A' ' 45' ' ' PHE . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.636 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 ' HA ' ' HZ3' ' A' ' 76' ' ' LYS . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.64 13.08 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 t -95.03 -28.74 14.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.95 43.56 2.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.485 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.559 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -138.02 -53.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.39 142.06 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -164.16 20.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.72 145.08 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.546 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -162.97 -65.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 m80 43.09 86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -63.68 162.31 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.45 128.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.597 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.81 64.72 0.13 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.99 150.78 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 1.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.96 75.53 66.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.627 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.48 140.08 45.09 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.675 2.25 . . . . 1.0 112.052 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -63.35 171.84 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.62 -82.59 0.27 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.73 4.37 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.536 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.579 HE22 HG23 ' A' ' 73' ' ' THR . 13.5 mm-40 -50.05 -25.97 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.41 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -44.72 -39.68 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.381 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.4 OUTLIER -64.7 -46.57 81.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.308 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD13 ' A' ' 74' ' ' LEU . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 52' ' ' VAL . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.847 HD11 ' ND2' ' A' ' 75' ' ' ASN . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' N ' HG23 ' A' ' 52' ' ' VAL . 18.4 pttt -62.15 -46.97 86.6 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 2.6 m120 -52.52 -50.27 63.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.771 -0.826 . . . . 1.0 108.771 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 57' ' ' ASP . 5.1 m-20 -65.32 -43.94 89.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.051 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -73.08 26.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.516 -0.311 . . . . 1.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 55' ' ' ASP . 5.2 m-20 -74.49 -2.94 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 1.0 110.473 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -42.96 -22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.4 tp -91.69 -156.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -76.99 152.51 35.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.677 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -45.23 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.405 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -63.86 -7.89 9.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.312 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.19 -16.07 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.626 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.626 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 45' ' ' PHE . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.579 HG23 HE22 ' A' ' 17' ' ' GLN . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.847 ' ND2' HD11 ' A' ' 49' ' ' ILE . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 10.39 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 t -98.49 1.91 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 51.5 mtt 43.16 -100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.556 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 12.0 ttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 1' ' ' MET . 79.4 m80 -158.41 -117.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -107.16 148.09 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 57.58 -142.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.527 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.46 -68.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.561 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.53 ' CG ' ' H ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -144.26 -114.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.582 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.53 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -81.15 -36.27 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 8' ' ' SER . 2.5 p 73.39 40.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.537 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m 45.66 -139.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.58 77.14 0.04 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.85 140.54 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 1.0 110.55 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.15 156.49 79.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' O ' ' OG ' ' A' ' 16' ' ' SER . 42.6 Cg_endo -70.09 -167.64 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.403 2.069 . . . . 1.0 112.072 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 57.17 171.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.64 85.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.1 m -101.99 10.47 39.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.683 0.278 . . . . 1.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -41.72 -31.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.462 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.84 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.469 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.79 -35.57 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 1.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -63.83 -45.62 88.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.404 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 36' ' ' TYR . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.791 ' HA ' HE22 ' A' ' 35' ' ' GLN . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.791 HE22 ' HA ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.704 ' CE1' HD22 ' A' ' 74' ' ' LEU . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' VAL . 5.9 p30 -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' ASP . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -42.58 -26.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' VAL . 4.3 t-20 -94.34 -24.6 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.347 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 52' ' ' VAL . 10.2 t70 -68.23 -57.39 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.756 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -73.4 27.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.751 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' ASP . 2.6 t70 79.92 -150.88 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -149.0 -3.29 0.44 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.067 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PHE . 2.2 pp -38.59 139.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.905 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 64' ' ' VAL . 70.7 mt-10 55.98 102.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.211 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -75.48 -31.18 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.562 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -16.62 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.119 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 31' ' ' ALA . 3.9 mt -99.17 -27.03 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.614 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.614 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 45' ' ' PHE . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' CE1' ' A' ' 40' ' ' TYR . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -72.91 -5.47 38.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -49.99 -39.61 41.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.43 -90.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' OXT' ' O ' ' A' ' 77' ' ' CYS . 15.0 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.561 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 43.81 71.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.584 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -98.92 147.89 24.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -142.03 173.34 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.46 104.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.93 -58.67 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.413 ' CG ' ' H ' ' A' ' 8' ' ' SER . 3.2 t-80 -163.25 -166.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -90.89 -162.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.538 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -95.16 154.63 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.45 -152.41 21.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 1.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 12' ' ' VAL . 61.9 t -134.17 69.94 73.93 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.642 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.82 96.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.709 2.272 . . . . 1.0 112.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -175.22 78.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.81 89.21 0.55 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 14.0 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 1.0 110.476 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 73' ' ' THR . 3.2 mm-40 -49.63 -40.57 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.71 -70.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.3 mp -43.31 -40.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.98 0.419 . . . . 1.0 110.068 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -45.77 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.057 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' CE2' ' A' ' 27' ' ' TRP . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 58' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.692 ' CE1' HD22 ' A' ' 74' ' ' LEU . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.652 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 51' ' ' ALA . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 49' ' ' ILE . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' H ' ' HB3' ' A' ' 48' ' ' ASN . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 53' ' ' LYS . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 52' ' ' VAL . 17.5 mttm -42.76 -34.02 0.85 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.83 -19.86 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' VAL . 25.9 t0 -68.51 -68.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 58' ' ' PHE . 2.2 m80 -106.46 -67.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER 61.73 -2.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.712 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 56' ' ' HIS . 23.8 m-85 41.78 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.619 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 3.3 mt -148.87 173.95 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.57 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' LEU . 3.3 tt0 59.73 124.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.55 -32.57 53.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -63.66 -9.0 11.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.208 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.18 -11.65 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.243 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 71' ' ' LEU . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 45' ' ' PHE . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD22 ' CE1' ' A' ' 40' ' ' TYR . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 49' ' ' ILE . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -88.14 -21.41 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.32 -47.54 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.624 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.55 102.54 15.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 tttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.541 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 3' ' ' HIS . 33.5 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -77.02 34.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 1' ' ' MET . 1.8 t60 -100.58 133.01 45.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -137.6 100.48 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -78.1 162.46 26.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -56.94 117.24 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.57 -52.23 2.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.536 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.84 160.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.28 142.13 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 -158.56 30.97 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.07 113.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.756 0.312 . . . . 1.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.07 156.95 78.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.36 157.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.346 2.031 . . . . 1.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -168.27 114.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.83 21.28 45.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -96.72 13.34 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 1.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.19 -24.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 24.2 mp0 -73.05 -70.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -58.05 -30.55 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.344 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 -35.4 78.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.964 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 36' ' ' TYR . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.689 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 52' ' ' VAL . 49.4 t-20 -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 50' ' ' VAL . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 53' ' ' LYS . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.609 ' N ' HG23 ' A' ' 52' ' ' VAL . 14.2 pttt -61.0 -44.92 96.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 58.8 m-20 -63.76 -50.65 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 57' ' ' ASP . 3.2 t0 -66.3 -64.79 0.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.48 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.521 ' O ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 m-70 -63.82 2.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.639 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.0 t70 -39.53 129.26 1.91 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 56' ' ' HIS . 63.8 m-85 -122.07 -99.18 0.43 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.8 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 4.0 mm? -60.04 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.549 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 64' ' ' VAL . 2.6 mt-10 -54.33 -165.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.744 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 9.7 tptp -86.0 -5.71 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.63 -33.7 47.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.88 -2.29 56.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 60' ' ' GLU . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 36' ' ' TYR . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.28 -16.93 59.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -85.9 2.87 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.676 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' SER . 12.3 mtp 57.32 157.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -95.07 111.42 23.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -101.01 -53.16 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.62 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 53.36 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -137.53 174.03 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.7 130.51 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -101.37 174.99 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.2 p -168.28 171.22 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.68 171.85 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.06 105.44 0.19 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -131.46 146.68 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 1.0 110.542 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.1 66.79 72.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.25 155.2 28.97 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.745 2.297 . . . . 1.0 112.17 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -95.01 161.94 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.81 30.0 2.19 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.02 13.15 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.62 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.743 ' OE1' HG23 ' A' ' 73' ' ' THR . 6.4 tp-100 -41.45 -25.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' SER . 11.8 mm-40 -77.03 -68.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 19' ' ' ILE . 10.9 mt -51.97 -15.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HB3' HG21 ' A' ' 73' ' ' THR . 40.1 mt-10 -73.09 -28.76 62.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.297 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.651 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 74' ' ' LEU . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.81 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.651 ' O ' HG23 ' A' ' 47' ' ' ILE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.587 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.63 -25.01 2.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -93.53 -15.7 25.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.243 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 57' ' ' ASP . 43.2 m-20 -97.29 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.553 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -51.35 -9.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.4 t0 54.92 84.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CG ' HG22 ' A' ' 64' ' ' VAL . 42.1 p90 -55.17 152.46 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.73 -67.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.1 36.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -49.48 49.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.464 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -3.84 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.229 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 31' ' ' ALA . 3.0 tp -100.25 2.23 42.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.649 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 58' ' ' PHE . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' CE2' ' A' ' 45' ' ' PHE . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.743 HG23 ' OE1' ' A' ' 17' ' ' GLN . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 40' ' ' TYR . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -65.03 -19.04 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -15.86 60.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mtt 48.7 -130.47 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 mptt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.553 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -138.18 -162.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.602 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.22 100.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.11 -166.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 50.25 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.25 32.78 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 132.27 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.632 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.99 125.59 54.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.541 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.83 51.54 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.22 115.58 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 1.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.4 m -134.29 66.77 71.73 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -79.0 162.68 26.13 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.748 2.299 . . . . 1.0 112.165 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.46 151.55 32.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.48 -47.63 1.43 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.74 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.717 0.294 . . . . 1.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.42 -19.9 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.478 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.13 -64.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.07 -26.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.149 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 73' ' ' THR . 36.2 mt-10 -66.29 -31.0 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.157 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 36' ' ' TYR . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.669 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.7 pp0? -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.669 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.744 ' O ' HG23 ' A' ' 47' ' ' ILE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -56.82 -30.66 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 58' ' ' PHE . 2.8 m120 -90.54 -47.39 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.659 . . . . 1.0 110.595 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 21.4 t70 -64.71 -66.93 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.309 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' A' ' 58' ' ' PHE . 7.1 m80 -64.23 -73.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.631 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 m-20 -69.71 36.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.642 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 35.93 -87.81 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.249 0.343 . . . . 1.0 111.196 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.2 mt -162.88 111.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.408 . . . . 1.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 62' ' ' ASP . 5.9 mt-10 -145.45 64.33 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.692 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.39 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.395 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -85.47 -49.8 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 1.0 110.533 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -86.86 -0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.841 -179.708 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 60' ' ' GLU . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 45' ' ' PHE . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 20' ' ' GLU . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -77.93 -1.84 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -80.56 -37.13 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt 42.46 79.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.669 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 73' ' ' THR . 3.1 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.854 0.359 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.482 HH22 HE21 ' A' ' 38' ' ' GLN . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.482 HE21 HH22 ' A' ' 29' ' ' ARG . 17.0 mm-40 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 74' ' ' LEU . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.71 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 33' ' ' PHE . 3.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.879 0.371 . . . . 1.0 110.396 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.619 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.619 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD23 ' CE2' ' A' ' 45' ' ' PHE . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 20' ' ' GLU . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.669 ' CB ' HG21 ' A' ' 73' ' ' THR . 3.8 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.705 0.288 . . . . 1.0 110.433 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 36' ' ' TYR . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.509 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 3.6 mm-40 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.613 ' CD1' HD22 ' A' ' 74' ' ' LEU . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.742 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.742 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.723 ' ND2' ' H ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.723 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.824 0.345 . . . . 1.0 110.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.498 ' CG1' ' HZ3' ' A' ' 53' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD23 ' CE2' ' A' ' 45' ' ' PHE . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' CB ' ' A' ' 20' ' ' GLU . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.662 ' NH1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CZ ' HD23 ' A' ' 63' ' ' LEU . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.71 ' N ' HE21 ' A' ' 35' ' ' GLN . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.672 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 75' ' ' ASN . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.725 0.298 . . . . 1.0 110.632 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 71' ' ' LEU . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.464 HG21 ' HB3' ' A' ' 20' ' ' GLU . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 40' ' ' TYR . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.84 HD22 HD11 ' A' ' 49' ' ' ILE . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.827 0.346 . . . . 1.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' CYS . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 63' ' ' LEU . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HB3' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.549 HD21 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.549 ' CG1' HD21 ' A' ' 48' ' ' ASN . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG11 ' OH ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 31' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.228 -0.071 0 CA-C-O 120.552 0.215 . . . . 1.0 110.79 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.657 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.657 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.712 ' CB ' HG21 ' A' ' 73' ' ' THR . 25.2 mm-40 . . . . . 0 N--CA 1.456 -0.129 0 N-CA-C 110.175 -0.306 . . . . 1.0 110.175 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 36' ' ' TYR . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.874 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.649 ' OH ' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.62 ' CE1' HD22 ' A' ' 74' ' ' LEU . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD11 HD22 ' A' ' 75' ' ' ASN . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.649 HG11 ' OH ' ' A' ' 36' ' ' TYR . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HZ3' ' HB3' ' A' ' 53' ' ' LYS . 4.7 mtpm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.874 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.3 mm? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.738 0.304 . . . . 1.0 110.402 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 71' ' ' LEU . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.612 HD22 ' CE1' ' A' ' 36' ' ' TYR . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 72' ' ' ASN . 0.3 OUTLIER -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.712 HG21 ' CB ' ' A' ' 20' ' ' GLU . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.62 HD22 ' CE1' ' A' ' 40' ' ' TYR . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.483 HD22 HD11 ' A' ' 49' ' ' ILE . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.884 0.373 . . . . 1.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CE1' HD22 ' A' ' 74' ' ' LEU . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' PRO . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' ND2' ' A' ' 48' ' ' ASN . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 48' ' ' ASN . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 1.0 110.507 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 45' ' ' PHE . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.672 ' CB ' HG21 ' A' ' 73' ' ' THR . 33.5 mt-10 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.794 0.33 . . . . 1.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 36' ' ' TYR . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 28' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 74' ' ' LEU . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 75' ' ' ASN . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.871 0.367 . . . . 1.0 110.691 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG1' ' NZ ' ' A' ' 53' ' ' LYS . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.623 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.623 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.672 HG21 ' CB ' ' A' ' 20' ' ' GLU . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.589 HD22 HD11 ' A' ' 49' ' ' ILE . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.2 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.359 . . . . 1.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 36' ' ' TYR . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 29' ' ' ARG . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 63' ' ' LEU . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 71' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.618 ' CD1' HD22 ' A' ' 74' ' ' LEU . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.66 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 75' ' ' ASN . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.46 ' N ' HG22 ' A' ' 49' ' ' ILE . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' ILE . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' ASN . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 1.0 110.465 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 45' ' ' PHE . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.665 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 49.9 t30 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 20' ' ' GLU . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 40' ' ' TYR . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 73' ' ' THR . 11.2 mm-40 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 36' ' ' TYR . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.469 ' CE2' HD23 ' A' ' 63' ' ' LEU . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.634 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.735 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 72' ' ' ASN . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.425 ' H ' HG23 ' A' ' 50' ' ' VAL . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD23 ' CE2' ' A' ' 33' ' ' PHE . 3.3 tp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.757 0.313 . . . . 1.0 110.451 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.517 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 71' ' ' LEU . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.706 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.76 0.314 . . . . 1.0 110.298 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.664 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 24' ' ' ALA . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.65 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' OE1' ' CG ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' GLN . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' HD22 ' A' ' 74' ' ' LEU . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.847 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.803 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.803 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 72' ' ' ASN . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' H ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.65 HD22 ' HB1' ' A' ' 31' ' ' ALA . 7.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 1.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.847 HD23 ' CE2' ' A' ' 45' ' ' PHE . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.636 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.414 ' HA ' ' HZ3' ' A' ' 76' ' ' LYS . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.799 0.333 . . . . 1.0 110.308 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD13 ' A' ' 74' ' ' LEU . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 52' ' ' VAL . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.847 HD11 ' ND2' ' A' ' 75' ' ' ASN . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.605 ' N ' HG23 ' A' ' 52' ' ' VAL . 18.4 pttt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.778 0.323 . . . . 1.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.626 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.626 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 45' ' ' PHE . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.847 ' ND2' HD11 ' A' ' 49' ' ' ILE . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 110.404 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 36' ' ' TYR . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CB ' HE22 ' A' ' 35' ' ' GLN . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.681 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.681 ' N ' HE21 ' A' ' 35' ' ' GLN . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.704 ' CE1' HD22 ' A' ' 74' ' ' LEU . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.536 HG23 ' H ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 31' ' ' ALA . 3.9 mt . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.85 0.357 . . . . 1.0 110.364 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.614 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.614 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 45' ' ' PHE . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' CE1' ' A' ' 40' ' ' TYR . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' CE2' ' A' ' 27' ' ' TRP . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 33' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 pp0? -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.692 ' CE1' HD22 ' A' ' 74' ' ' LEU . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.652 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 51' ' ' ALA . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 49' ' ' ILE . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' H ' ' HB3' ' A' ' 48' ' ' ASN . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 53' ' ' LYS . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 52' ' ' VAL . 17.5 mttm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.819 0.342 . . . . 1.0 110.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 71' ' ' LEU . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 45' ' ' PHE . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.692 HD22 ' CE1' ' A' ' 40' ' ' TYR . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 49' ' ' ILE . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.457 -0.093 0 N-CA-C 109.964 -0.384 . . . . 1.0 109.964 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 36' ' ' TYR . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.509 HE21 ' CA ' ' A' ' 36' ' ' TYR . 1.6 pp0? -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.689 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 72' ' ' ASN . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 50' ' ' VAL . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 53' ' ' LYS . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.609 ' N ' HG23 ' A' ' 52' ' ' VAL . 14.2 pttt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 1.0 110.631 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 36' ' ' TYR . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.46 HD22 HD11 ' A' ' 49' ' ' ILE . 5.7 t-20 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HB3' HG21 ' A' ' 73' ' ' THR . 40.1 mt-10 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.818 0.342 . . . . 1.0 110.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.651 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.578 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 74' ' ' LEU . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.81 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.651 ' O ' HG23 ' A' ' 47' ' ' ILE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.587 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 31' ' ' ALA . 3.0 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.764 0.316 . . . . 1.0 110.649 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' CE2' ' A' ' 45' ' ' PHE . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.698 HG21 ' HB3' ' A' ' 20' ' ' GLU . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 40' ' ' TYR . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 73' ' ' THR . 36.2 mt-10 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.839 0.352 . . . . 1.0 110.157 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 36' ' ' TYR . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.744 ' O ' HG23 ' A' ' 47' ' ' ILE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 1.0 110.841 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 45' ' ' PHE . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 20' ' ' GLU . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.575 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -67.14 164.72 17.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.613 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.575 ' CE1' ' ND1' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -63.61 -18.57 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 3' ' ' HIS . 46.0 m80 -81.91 61.49 5.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -143.88 115.73 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.541 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -169.15 173.25 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.595 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.11 99.1 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.582 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 m -90.67 164.53 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -154.95 114.38 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -166.81 0.75 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -153.14 124.83 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.732 0.301 . . . . 1.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 12' ' ' VAL . 9.0 p -134.08 69.68 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.0 -63.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.771 2.314 . . . . 1.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -53.05 96.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.87 -80.41 0.11 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -76.24 -5.54 47.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 1.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.44 -29.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -65.7 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.494 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -61.68 -31.52 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.144 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 73' ' ' THR . 3.1 mm-40 -67.95 -37.86 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.156 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.72 -61.88 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.13 -36.89 52.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.85 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.2 mm-40 -73.33 -53.3 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.56 -49.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.016 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -35.49 61.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.1 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -79.48 -10.89 59.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 1.0 110.629 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.9 t90 -89.24 -42.26 11.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.402 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.56 -34.25 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.206 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.482 HH22 HE21 ' A' ' 38' ' ' GLN . 1.2 mtp180 -75.18 -33.53 61.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.198 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -24.55 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -71.93 -35.99 69.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.72 17.48 2.09 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.078 -0.809 . . . . 1.0 111.078 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 5.5 m-85 -141.68 71.22 25.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -70.55 -8.77 24.38 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.71 2.273 . . . . 1.0 111.656 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -68.28 -35.91 78.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -68.35 -59.35 3.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.895 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -45.12 -46.27 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 1.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.482 HE21 HH22 ' A' ' 29' ' ' ARG . 17.0 mm-40 -42.16 -27.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.515 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt -73.96 -34.62 64.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CE1' HD22 ' A' ' 74' ' ' LEU . 43.4 t80 -49.34 -56.03 10.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 1.0 110.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.36 -25.52 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 2.6 m-20 -87.7 -20.64 25.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.531 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.6 OUTLIER 81.97 6.98 1.04 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.069 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -87.38 22.83 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.899 0.381 . . . . 1.0 110.231 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.94 -53.56 41.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 1.0 112.261 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.71 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.4 Cg_endo -65.85 114.33 2.91 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 CA-C-N 119.389 0.818 . . . . 1.0 111.323 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 pt -169.49 179.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 114.779 -1.1 . . . . 1.0 109.032 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -54.31 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.464 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 47' ' ' ILE . 85.9 mt -53.93 -61.2 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.065 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 91.7 t -44.75 -44.42 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.729 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.28 -20.12 62.25 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.309 0.576 . . . . 1.0 110.151 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -81.64 -53.16 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.183 -0.917 . . . . 1.0 109.832 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -49.88 -22.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.231 0.539 . . . . 1.0 109.745 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 50' ' ' VAL . 1.7 m-80 -95.23 -39.7 9.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.317 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -41.96 -68.23 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.164 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -111.5 -63.47 1.41 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -38.91 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.04 0.448 . . . . 1.0 111.123 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.89 4.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.412 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -93.18 118.7 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' LEU . 14.7 mt-10 57.82 127.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.035 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.61 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 10.7 tptp -72.38 -29.05 63.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.346 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -15.3 63.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.205 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' HE2' ' A' ' 33' ' ' PHE . 3.3 mt -97.43 -11.66 23.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.396 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 9.6 t -85.03 -37.88 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.433 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -60.39 -64.3 3.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.858 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.619 ' N ' HH21 ' A' ' 69' ' ' ARG . 7.6 Cg_endo -52.85 -28.68 39.91 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.972 1.781 . . . . 1.0 111.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.22 -33.26 74.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.049 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.34 -19.82 59.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.421 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.619 HH21 ' N ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -77.85 -54.14 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.235 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 18.4 mmt180 -60.35 -53.55 56.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.247 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.502 HD23 ' CE2' ' A' ' 45' ' ' PHE . 97.0 mt -53.76 -51.61 62.84 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.096 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -61.05 -30.15 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.667 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 20' ' ' GLU . 87.9 m -72.68 -58.86 3.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.605 HD22 ' CE1' ' A' ' 40' ' ' TYR . 9.9 mt -62.12 -42.16 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.536 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -44.69 -24.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.41 -42.95 9.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.731 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 t -77.96 -11.34 59.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -86.45 11.85 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.584 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 m -94.89 -12.86 26.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.606 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 mtp 51.61 17.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.49 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.618 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -81.75 117.92 22.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.599 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -67.57 162.43 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -99.99 147.77 25.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.587 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' C ' ' H ' ' A' ' 7' ' ' HIS . 0.6 OUTLIER -166.06 14.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.48 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.88 27.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.515 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 5' ' ' HIS . 2.4 m-70 52.53 -168.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.573 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -157.51 -143.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.01 126.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.97 107.82 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -159.79 118.42 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 1.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 t -134.02 73.02 71.39 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.534 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -81.37 160.54 19.93 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.862 2.374 . . . . 1.0 112.229 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.615 ' HE ' ' N ' ' A' ' 14' ' ' ARG . 2.9 mmp_? -63.88 -149.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.21 -144.23 15.91 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 p -77.19 9.52 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 1.0 110.497 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' CD ' HG23 ' A' ' 73' ' ' THR . 1.4 tp-100 -41.56 -31.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.14 -70.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -19.44 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.669 ' CB ' HG21 ' A' ' 73' ' ' THR . 3.8 mm-40 -71.63 -27.62 63.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.433 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.1 -65.89 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.344 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -35.18 55.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' TRP . 29.1 mm-40 -73.87 -54.36 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.64 -52.89 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.85 72.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.201 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -80.68 -11.01 59.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 1.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.8 t90 -93.32 -47.6 6.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.447 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 36' ' ' TYR . 17.0 mt -46.25 -23.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.153 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 27' ' ' TRP . 3.1 mtp85 -86.11 -28.86 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.366 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.21 -11.2 59.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.268 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.5 -14.42 20.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.402 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.67 17.06 31.92 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.622 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 4.0 m-85 -129.98 57.01 27.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.308 . . . . 1.0 110.717 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -68.2 -12.43 35.05 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.687 2.258 . . . . 1.0 112.093 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' NE2' ' CD1' ' A' ' 36' ' ' TYR . 3.8 pp0? -60.9 -12.16 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CD1' ' NE2' ' A' ' 35' ' ' GLN . 39.2 m-85 -84.99 -67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -37.0 -42.66 0.42 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.912 0.387 . . . . 1.0 110.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.509 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 3.6 mm-40 -43.63 -43.22 5.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.214 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' TYR . 87.4 mt -55.48 -34.57 64.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.632 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.613 ' CD1' HD22 ' A' ' 74' ' ' LEU . 56.1 t80 -49.77 -60.75 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.289 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 7.3 mt-10 -43.17 -35.6 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.475 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -84.2 -24.94 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.561 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 80.14 20.58 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.822 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -102.63 33.97 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.966 0.413 . . . . 1.0 110.159 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -70.65 -43.16 15.23 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.166 -179.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.742 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.9 Cg_exo -63.91 114.71 2.72 Favored 'Trans proline' 0 C--N 1.302 -1.912 0 C-N-CA 121.149 1.233 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.742 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.1 pt -169.44 179.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.789 . . . . 1.0 109.394 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.723 ' ND2' ' H ' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -64.06 95.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' VAL . 66.4 mt -54.04 -64.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.1 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.5 t -37.89 -46.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.031 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.723 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . -56.36 -31.63 63.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.022 -0.535 . . . . 1.0 112.405 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -84.8 -37.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.15 -0.62 . . . . 1.0 110.419 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HZ3' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -61.22 -34.79 75.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 1.0 109.932 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -85.96 -55.69 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.381 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -49.92 -68.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.6 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -61.48 -68.25 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.369 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER 57.47 153.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.689 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 42.2 m-85 -149.62 31.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.443 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 59' ' ' LEU . 3.6 tt 62.63 -70.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.547 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 58' ' ' PHE . 3.3 mm-40 -40.32 102.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.689 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.771 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 8.6 tptp -74.49 -25.96 59.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.266 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -23.22 63.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.135 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.88 -19.67 23.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.771 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 51.9 t -70.53 -38.03 72.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mm-40 -56.98 -62.24 5.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.663 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -60.19 -33.82 94.59 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.006 1.804 . . . . 1.0 111.566 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.6 tp -56.06 -43.31 77.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.0 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.86 -19.48 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.48 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' NH1' ' OE1' ' A' ' 20' ' ' GLU . 41.0 ttp85 -80.31 -55.29 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.533 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.523 ' NH1' ' OE2' ' A' ' 20' ' ' GLU . 15.5 mmt180 -53.21 -61.28 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.107 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD23 ' CE2' ' A' ' 45' ' ' PHE . 27.1 mt -46.01 -46.7 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.156 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -55.17 -30.62 60.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.404 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' CB ' ' A' ' 20' ' ' GLU . 18.1 m -77.39 -66.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.5 mt -50.07 -38.4 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.116 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -56.66 -25.1 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.955 0.407 . . . . 1.0 110.171 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -93.32 -48.73 6.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.689 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 4.4 t -75.51 -13.6 60.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -55.57 -33.68 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -79.81 29.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.532 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.415 ' H ' ' C ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 46.5 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 79' ' ' SER . 14.0 tttp . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.573 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 53.17 -178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -90.28 171.17 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.567 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.26 118.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -157.56 171.82 19.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -102.14 173.78 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.616 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -145.3 172.76 12.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.646 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -158.59 146.46 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.524 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.33 162.35 12.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.624 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.79 131.94 2.91 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.75 117.7 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 1.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.11 66.89 72.7 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.585 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 15' ' ' GLY . 62.0 Cg_endo -78.68 109.93 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.735 2.29 . . . . 1.0 112.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.71 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.507 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' PRO . . . 138.59 48.28 0.06 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 -8.65 54.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.387 . . . . 1.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.54 ' NE2' HG23 ' A' ' 73' ' ' THR . 6.0 tp60 -42.27 -27.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.545 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' ALA . 17.6 mm-40 -53.72 -70.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -44.22 -39.75 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.051 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' OE2' ' NH1' ' A' ' 70' ' ' ARG . 2.7 mm-40 -66.2 -41.05 90.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.063 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' GLU . . . -57.13 -56.66 18.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -52.22 -45.73 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.324 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 27' ' ' TRP . 2.3 mm-40 -67.45 -52.15 42.94 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.4 -46.74 1.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.757 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -76.99 -37.08 55.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.68 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.4 -11.03 59.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 1.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.535 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.3 t90 -91.41 -36.55 13.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.428 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.73 -31.73 66.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.248 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.662 ' NH1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mtp85 -74.28 -35.83 63.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.146 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.4 63.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.71 -18.64 61.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.391 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.16 5.28 30.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.611 ' CD2' ' NE2' ' A' ' 56' ' ' HIS . 1.5 m-85 -122.33 79.78 45.19 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 120.918 0.39 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -83.32 -10.34 10.04 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.538 2.159 . . . . 1.0 112.697 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.71 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -70.78 -14.02 62.27 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.767 -0.373 . . . . 1.0 111.057 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.71 ' N ' HE21 ' A' ' 35' ' ' GLN . 12.7 m-85 -82.12 -68.03 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.115 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.662 ' HB3' ' NH1' ' A' ' 29' ' ' ARG . . . -39.15 -33.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.178 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -53.17 -43.4 67.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.5 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -53.48 -33.36 53.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.646 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.631 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.9 t80 -50.82 -54.39 24.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.842 0.354 . . . . 1.0 110.266 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.44 -37.56 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.507 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -88.1 -20.23 25.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.567 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.8 p 80.34 10.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.529 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.73 23.79 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.99 0.424 . . . . 1.0 110.06 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -61.09 -51.33 79.68 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.203 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.672 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.6 Cg_endo -66.41 114.95 3.26 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 CA-C-N 119.353 0.805 . . . . 1.0 111.528 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -165.94 179.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.887 -1.051 . . . . 1.0 109.309 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 39.8 p-10 -56.83 83.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.705 -0.398 . . . . 1.0 109.949 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 75' ' ' ASN . 47.9 mt -51.67 -63.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.856 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' ILE . 1.5 p -36.28 -42.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.032 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -63.96 -31.98 73.35 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.524 0.565 . . . . 1.0 112.524 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -82.44 -44.17 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.114 -0.634 . . . . 1.0 110.949 -179.509 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -52.45 -25.48 10.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 1.0 109.933 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -87.97 -45.79 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.043 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -24.63 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.41 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.62 ' ND1' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -106.58 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.395 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.62 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 10.9 t0 54.58 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.4 m-85 56.21 171.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 63' ' ' LEU . 1.3 tp 39.44 -140.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.658 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 64' ' ' VAL . 57.2 mm-40 -112.39 -154.24 0.54 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -81.73 -3.19 53.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 5.7 t70 -81.91 -6.37 59.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.581 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 33' ' ' PHE . 1.1 mp -128.1 -2.12 5.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.632 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 60' ' ' GLU . 70.2 t -89.56 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -56.35 -48.03 97.76 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.796 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 26.6 Cg_exo -57.41 -34.01 97.25 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.943 1.762 . . . . 1.0 111.126 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.0 -43.49 86.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.514 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 -22.37 65.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -55.99 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.304 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 15.5 mmt180 -63.43 -42.06 98.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.266 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 71' ' ' LEU . 72.7 mt -62.01 -53.3 57.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.252 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -59.71 -22.53 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.574 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.54 HG23 ' NE2' ' A' ' 17' ' ' GLN . 47.5 m -78.12 -66.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.631 HD22 ' CD1' ' A' ' 40' ' ' TYR . 10.7 mt -50.92 -38.73 51.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.84 HD22 HD11 ' A' ' 49' ' ' ILE . 95.2 m-20 -52.91 -29.64 29.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.494 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -89.6 -21.79 22.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.51 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 73' ' ' THR . 0.0 OUTLIER -95.07 -15.08 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.454 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.33 3.4 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.43 -4.68 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.514 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.4 mmt 54.35 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.5 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.124 -0.941 . . . . 1.0 110.512 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.65 -70.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -161.64 159.68 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -84.09 100.5 11.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 5' ' ' HIS . 12.7 t-80 -144.84 9.53 1.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -101.1 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.611 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -84.44 -113.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' A' ' 7' ' ' HIS . 6.9 m -157.68 80.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -137.02 98.59 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.11 149.21 18.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -82.37 154.71 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 1.0 110.563 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 33.9 m -133.95 71.78 73.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.57 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -81.01 -165.54 0.35 Allowed 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.839 2.359 . . . . 1.0 112.172 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -140.55 15.6 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.483 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.14 -5.95 4.55 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.0 m -90.39 14.03 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -41.41 -27.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.707 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' SER . 13.4 mm-40 -67.87 -63.02 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.6 mt -55.34 -33.08 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.242 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.25 -42.17 96.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.271 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.27 -56.18 25.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.78 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -51.84 -37.16 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.338 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' TRP . 3.9 mm-40 -71.84 -52.65 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.09 -50.32 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.99 -36.56 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 1.0 111.133 -179.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.08 -17.84 60.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.906 0.384 . . . . 1.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.538 ' O ' ' N ' ' A' ' 30' ' ' ALA . 86.2 t90 -93.29 -45.69 7.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.09 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' CYS . 8.7 mt -41.41 -34.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.757 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 3.5 ptp85 -84.1 -25.76 29.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.845 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -81.69 -13.79 57.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.404 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 63' ' ' LEU . . . -96.76 -40.79 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 137.76 33.95 0.2 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 33.9 m-85 -143.27 56.82 4.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.719 0.295 . . . . 1.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.78 -11.31 30.54 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.575 2.183 . . . . 1.0 111.882 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.622 ' NE2' ' CE1' ' A' ' 56' ' ' HIS . 3.9 pp0? -85.88 -18.2 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.486 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.422 ' HB3' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -70.85 -67.61 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.175 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.7 -35.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.821 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.01 -37.45 45.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.037 -179.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' ASP . 2.1 mp -66.68 -35.41 80.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.197 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' SER . 62.6 t80 -43.2 -51.53 6.03 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.22 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 1.6 mt-10 -47.39 -31.61 4.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.3 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 43' ' ' SER . 2.2 t0 -91.51 -20.73 21.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 1.8 p 80.57 12.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.15 24.67 1.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.391 . . . . 1.0 110.192 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.96 -41.69 72.62 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.437 -179.678 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' O ' HG23 ' A' ' 47' ' ' ILE . 17.1 Cg_exo -62.64 114.9 2.59 Favored 'Trans proline' 0 C--N 1.3 -2.012 0 C-N-CA 120.931 1.088 . . . . 1.0 110.637 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -165.26 179.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.581 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.549 HD21 ' CG1' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -63.96 96.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.155 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.75 -67.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.292 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.549 ' CG1' HD21 ' A' ' 48' ' ' ASN . 1.7 p -38.39 -41.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.409 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.41 -26.25 66.55 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.392 0.516 . . . . 1.0 112.392 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -90.7 -40.19 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.473 -0.491 . . . . 1.0 110.123 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.0 -18.74 5.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.293 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -93.74 -48.53 6.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -90.82 -60.34 1.94 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.273 -179.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.622 ' CE1' ' NE2' ' A' ' 35' ' ' GLN . 5.7 t-80 -71.29 33.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.176 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 59' ' ' LEU . 1.2 t70 -140.23 18.35 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.671 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.98 -23.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.69 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 HD22 ' A' ' 63' ' ' LEU . 1.1 tp -67.11 -177.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.362 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -45.58 153.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.272 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 63' ' ' LEU . 4.3 ttmm -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.19 -5.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.394 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 59' ' ' LEU . 1.9 tp -99.65 7.07 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.79 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.64 -45.47 15.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.823 0.344 . . . . 1.0 110.275 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.0 mt-10 -58.33 -64.37 2.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.439 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.2 Cg_endo -54.2 -40.8 80.59 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.226 1.951 . . . . 1.0 112.406 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.07 -45.05 83.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -13.72 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.4 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.657 HH21 ' NH1' ' A' ' 70' ' ' ARG . 17.9 ttp180 -87.43 -44.12 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.608 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.657 ' NH1' HH21 ' A' ' 69' ' ' ARG . 10.1 mmt180 -68.67 -60.3 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.2 mt -48.58 -46.9 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.282 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 76' ' ' LYS . 16.7 t-20 -58.36 -35.34 71.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.1 m -63.84 -57.27 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' ALA . 3.5 mp -61.62 -49.83 75.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.293 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -46.31 -25.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.304 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 72' ' ' ASN . 81.1 mttt -93.0 -26.81 17.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.544 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' LEU . 16.6 t -96.07 -8.06 34.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.806 -179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.12 -6.02 56.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.484 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.9 m -56.07 -14.26 2.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.6 ttt 71.53 153.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.509 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -95.11 143.39 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -145.14 114.26 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 25.7 m-70 -137.7 32.13 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.494 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -86.56 112.76 21.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.641 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -151.88 -112.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.555 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' H ' ' CG ' ' A' ' 6' ' ' HIS . 34.5 m80 -48.05 103.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.49 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -136.84 100.0 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.0 95.15 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.516 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.12 76.91 0.34 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.76 103.74 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 1.0 110.571 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 12' ' ' VAL . 91.7 t -134.17 66.78 72.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.721 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' C ' ' N ' ' A' ' 15' ' ' GLY . 62.8 Cg_endo -78.88 175.22 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.874 2.383 . . . . 1.0 112.121 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 49.93 13.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' PRO . . . -72.16 -104.29 0.06 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.009 -0.837 . . . . 1.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -88.56 3.64 49.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 1.0 110.716 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.52 ' OE1' HG23 ' A' ' 73' ' ' THR . 3.4 mm100 -49.24 -11.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 16' ' ' SER . 63.6 mm-40 -82.96 -70.04 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.627 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -55.47 -22.04 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 1.0 110.064 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.712 ' CB ' HG21 ' A' ' 73' ' ' THR . 25.2 mm-40 -72.66 -27.5 62.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.175 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.74 -65.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.282 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -51.09 -37.27 44.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.361 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' TRP . 71.7 mt-10 -73.52 -53.27 10.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -39.04 -49.67 1.75 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.497 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -74.0 -35.93 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.045 -0.262 . . . . 1.0 111.009 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -78.17 -13.34 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.601 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.8 t90 -90.22 -44.06 10.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.069 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 36' ' ' TYR . 19.9 mt -49.63 -66.51 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.237 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 5.4 ptp85 -49.44 -29.97 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.939 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -17.63 42.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.578 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.874 ' HB1' HD12 ' A' ' 63' ' ' LEU . . . -93.66 -12.45 29.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 105.07 38.05 2.57 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 56' ' ' HIS . 45.0 m-85 -150.34 56.85 2.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.668 0.27 . . . . 1.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.78 -32.75 36.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.503 2.136 . . . . 1.0 111.737 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.709 HE22 ' CD2' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -55.78 -32.31 63.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.946 179.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.649 ' OH ' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -62.86 -67.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.63 -0.713 . . . . 1.0 110.79 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.19 -44.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -44.12 -35.91 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.526 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.05 -37.73 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.754 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.62 ' CE1' HD22 ' A' ' 74' ' ' LEU . 60.4 t80 -49.27 -56.65 8.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 1.0 110.33 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -47.37 -29.42 2.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.47 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -91.49 -18.4 24.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.608 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.82 7.0 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.473 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -85.2 24.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.168 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -63.08 -42.83 79.15 Favored Pre-proline 0 CA--C 1.516 -0.352 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.354 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.5 Cg_exo -62.73 114.74 2.53 Favored 'Trans proline' 0 C--N 1.299 -2.053 0 C-N-CA 121.02 1.147 . . . . 1.0 110.774 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -164.98 176.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.565 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -63.36 89.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.7 -0.482 . . . . 1.0 109.7 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD11 HD22 ' A' ' 75' ' ' ASN . 97.1 mt -52.71 -65.58 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.91 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 84.7 t -36.03 -43.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.158 0.429 . . . . 1.0 112.158 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.5 63.04 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.649 HG11 ' OH ' ' A' ' 36' ' ' TYR . 1.1 m -86.15 -38.53 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.265 -0.574 . . . . 1.0 110.702 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HZ3' ' HB3' ' A' ' 53' ' ' LYS . 4.7 mtpm? -46.54 -16.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.131 0.491 . . . . 1.0 110.106 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' N ' ' C ' ' A' ' 52' ' ' VAL . 3.8 m-80 -94.62 -38.79 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.182 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -94.19 -62.27 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.489 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.709 ' CD2' HE22 ' A' ' 35' ' ' GLN . 6.6 m80 -67.68 33.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.608 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 9.4 p-10 -110.54 -100.12 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.739 0.304 . . . . 1.0 110.565 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 55' ' ' ASP . 31.1 m-85 39.26 52.45 2.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.673 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.45 48.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.601 0.715 . . . . 1.0 110.159 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 65.42 160.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -76.3 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.643 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.51 -27.38 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.22 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.874 HD12 ' HB1' ' A' ' 31' ' ' ALA . 4.3 mm? -90.46 -28.05 18.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.402 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.84 -44.34 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.899 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 1.0 OUTLIER -54.87 -61.72 5.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.493 -0.322 . . . . 1.0 111.005 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.47 -28.26 70.77 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.907 1.738 . . . . 1.0 112.247 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.426 HD11 HD11 ' A' ' 71' ' ' LEU . 44.7 tp -58.42 -48.24 81.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.905 -0.405 . . . . 1.0 109.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 t -72.84 -12.08 60.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.548 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.669 HH21 ' NE ' ' A' ' 70' ' ' ARG . 46.3 ttp180 -81.59 -48.64 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.899 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' NE ' HH21 ' A' ' 69' ' ' ARG . 14.8 mmt180 -67.99 -60.42 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.856 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.612 HD22 ' CE1' ' A' ' 36' ' ' TYR . 51.6 mt -41.55 -47.09 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 1.0 110.38 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.436 ' C ' HD22 ' A' ' 72' ' ' ASN . 0.3 OUTLIER -58.37 -34.33 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.642 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.712 HG21 ' CB ' ' A' ' 20' ' ' GLU . 31.3 m -68.92 -56.18 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.541 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.62 HD22 ' CE1' ' A' ' 40' ' ' TYR . 12.6 mt -64.13 -49.43 72.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.483 HD22 HD11 ' A' ' 49' ' ' ILE . 92.9 m-20 -44.72 -23.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.998 0.427 . . . . 1.0 110.176 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HZ2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -93.22 -28.52 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -94.67 -8.46 37.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.61 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.5 -42.74 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -29.47 69.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.476 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt -62.77 -73.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.485 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.5 p-80 -163.89 45.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.19 176.89 5.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 6' ' ' HIS . 44.5 t-80 -151.75 120.77 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 3.5 m170 -92.57 139.72 30.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' ND1' ' ND1' ' A' ' 4' ' ' HIS . 22.4 p-80 -175.43 72.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 5.9 m-70 -87.33 113.94 23.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 141.71 32.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' ' CD2' ' A' ' 11' ' ' LEU . 1.9 t -146.41 135.72 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.544 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.51 71.99 0.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' CD2' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -105.29 127.6 53.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 1.0 110.556 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.06 68.99 74.78 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -79.9 167.39 20.29 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.838 2.359 . . . . 1.0 112.231 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -142.48 142.61 32.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.513 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.77 -46.25 1.2 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -78.08 13.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 1.0 110.564 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 73' ' ' THR . 1.0 OUTLIER -50.71 -26.65 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.54 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.16 -70.12 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.408 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -48.23 -31.0 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.104 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.88 -46.18 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -46.39 -53.09 11.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.518 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -25.07 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.642 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' TRP . 50.4 mm-40 -88.74 -65.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 1.0 110.217 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -37.42 -49.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.205 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' O ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.48 -34.33 65.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 1.0 111.114 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' GLU . 34.0 t0 -80.5 -12.48 59.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.94 0.4 . . . . 1.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLU . 80.6 t90 -89.75 -42.2 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -51.17 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.554 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' NH1' ' O ' ' A' ' 25' ' ' CYS . 4.0 ptp85 -49.24 -30.33 6.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.63 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.48 -26.55 58.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 63' ' ' LEU . . . -84.92 -40.15 17.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 135.94 29.85 0.34 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 13.8 m-85 -140.1 55.31 6.27 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 1.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 33' ' ' PHE . 37.7 Cg_endo -68.56 -27.95 32.29 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.769 2.313 . . . . 1.0 111.888 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.2 -15.02 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -79.97 -67.85 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.753 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.08 -34.92 0.06 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.068 0.461 . . . . 1.0 110.697 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -57.13 -43.18 82.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mp -60.9 -41.96 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.138 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CE1' HD22 ' A' ' 74' ' ' LEU . 62.3 t80 -42.81 -50.67 5.63 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.401 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.16 -31.76 3.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -94.6 -10.7 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.709 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.62 18.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.592 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -91.18 25.57 2.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.579 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -75.07 -38.7 3.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.636 -179.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.4 Cg_endo -76.77 114.55 3.86 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 120.598 0.865 . . . . 1.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' PRO . 11.2 pt -164.16 176.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.181 -0.918 . . . . 1.0 109.753 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' ND2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -56.1 87.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.534 -0.543 . . . . 1.0 109.534 179.151 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 96.7 mt -51.23 -68.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.415 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' ND2' ' A' ' 48' ' ' ASN . 2.2 p -37.2 -41.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.495 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -30.28 71.37 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -84.98 -42.86 16.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.225 -0.59 . . . . 1.0 110.753 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.97 -12.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.079 0.466 . . . . 1.0 110.225 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' C ' ' A' ' 52' ' ' VAL . 2.1 m-80 -94.18 -42.78 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 1.0 109.991 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.45 -68.69 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.488 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -47.75 -23.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.983 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.485 ' CG ' ' CZ ' ' A' ' 33' ' ' PHE . 51.5 t0 -141.24 126.87 18.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.008 0.432 . . . . 1.0 110.895 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 16.3 t80 -140.92 -11.76 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 1.0 109.948 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.42 -170.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.59 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE1' ' OD2' ' A' ' 62' ' ' ASP . 0.3 OUTLIER -40.65 156.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.589 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -21.02 63.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.801 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' OD2' ' OE1' ' A' ' 60' ' ' GLU . 20.8 p30 -73.11 5.97 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.214 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 31' ' ' ALA . 1.0 OUTLIER -128.09 -2.28 5.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.507 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.0 t -89.09 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.8 mm-40 -55.03 -48.21 96.6 Favored Pre-proline 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.682 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 33.7 Cg_exo -55.63 -32.65 84.28 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.069 1.846 . . . . 1.0 111.545 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.28 -36.96 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.103 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.97 -14.7 61.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.633 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -86.92 -56.59 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.515 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.0 mmt-85 -58.26 -53.1 62.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.461 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 45' ' ' PHE . 96.5 mt -56.17 -54.76 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.077 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -55.12 -28.79 55.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.772 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.433 HG22 ' NE2' ' A' ' 17' ' ' GLN . 33.7 m -73.92 -62.31 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.6 mt -59.64 -42.65 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -44.87 -27.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.294 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -27.69 23.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.559 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' LEU . 27.0 t -89.33 -19.81 24.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.47 -13.58 61.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.93 22.66 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 77' ' ' CYS . 2.4 ptt? -71.29 174.58 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.67 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.605 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.465 ' C ' ' CG ' ' A' ' 3' ' ' HIS . 30.7 m80 -96.14 177.28 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.465 ' CG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -155.58 145.03 21.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.593 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -97.03 -174.62 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.555 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.2 m-70 41.97 74.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.529 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -63.48 -91.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.493 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 m -69.63 138.65 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.542 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -101.24 168.32 9.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.47 26.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.12 155.68 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 1.0 110.551 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.03 155.77 74.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.246 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.73 112.88 3.01 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.254 1.969 . . . . 1.0 112.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -155.73 80.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.487 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.84 29.87 55.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' GLU . 15.9 m -102.04 13.92 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 1.0 110.649 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -42.11 -22.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 16' ' ' SER . 28.9 mm-40 -73.52 -70.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.541 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.2 mp -49.75 -17.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 110.056 -0.35 . . . . 1.0 110.056 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.672 ' CB ' HG21 ' A' ' 73' ' ' THR . 33.5 mt-10 -76.24 -36.11 58.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.281 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.76 7.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -52.33 19.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.82 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.1 pt-20 -67.15 -49.48 64.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.493 -0.483 . . . . 1.0 109.971 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -38.54 -51.48 1.6 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.002 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -36.57 63.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.916 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.3 -13.88 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.544 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.46 -54.61 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 36' ' ' TYR . 14.8 mt -42.4 -29.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.258 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -82.85 -33.83 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -76.42 -24.97 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.22 -13.64 59.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 103.15 21.87 9.7 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.6 m-85 -135.65 58.74 26.23 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.707 0.289 . . . . 1.0 110.572 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.68 -13.25 36.7 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.554 2.17 . . . . 1.0 111.911 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -57.34 -32.99 67.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.492 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CD2' HD22 ' A' ' 28' ' ' LEU . 56.0 m-85 -66.11 -67.29 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.984 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.3 -41.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.441 0.463 . . . . 1.0 110.791 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -44.28 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.407 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.3 mt -57.5 -29.05 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.759 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 74' ' ' LEU . 43.9 t80 -58.64 -65.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.806 0.336 . . . . 1.0 110.229 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -43.74 -36.7 2.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.196 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -76.48 -28.79 56.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.9 p 81.04 40.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.16 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -134.47 44.52 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.949 0.404 . . . . 1.0 110.312 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.671 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -73.84 -40.88 5.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.44 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.7 Cg_exo -66.41 114.63 3.14 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 121.087 1.192 . . . . 1.0 111.327 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.1 pt -167.62 179.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.131 -0.94 . . . . 1.0 109.475 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' ASN . 30.6 p30 -57.49 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 1.0 109.94 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 75' ' ' ASN . 73.8 mt -52.7 -63.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' ILE . 15.6 t -37.13 -45.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.497 -0.319 . . . . 1.0 111.198 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.58 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.54 0.57 . . . . 1.0 112.54 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -85.99 -41.54 15.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.038 -0.665 . . . . 1.0 110.691 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' NZ ' ' CG1' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -49.28 -19.5 0.5 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.043 0.449 . . . . 1.0 110.076 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 52' ' ' VAL . 1.5 m-80 -89.42 -43.53 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.019 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -7.78 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -46.07 -37.88 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.761 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' N ' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -174.71 -78.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.254 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CZ ' ' OD2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -146.52 25.85 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 1.0 110.168 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 4.5 tp 54.17 103.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.555 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 64' ' ' VAL . 49.4 mt-10 -121.57 85.72 2.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.335 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -34.39 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.591 -179.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -84.43 -49.19 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 1.0 110.655 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -85.86 0.25 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.691 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.626 HG23 ' H ' ' A' ' 60' ' ' GLU . 38.5 t -89.34 -27.63 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.49 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -58.72 -64.01 3.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.416 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.623 ' CB ' HH12 ' A' ' 70' ' ' ARG . 10.0 Cg_endo -55.5 -40.86 83.08 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.986 1.791 . . . . 1.0 111.596 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.77 -46.01 67.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.388 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -69.34 -18.36 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' HE ' ' NH1' ' A' ' 70' ' ' ARG . 6.6 ttm-85 -78.06 -47.14 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.559 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.623 HH12 ' CB ' ' A' ' 66' ' ' PRO . 14.4 mmt-85 -66.56 -60.56 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.8 mt -48.62 -47.57 40.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.619 -0.432 . . . . 1.0 110.03 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -53.31 -38.3 63.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.64 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.672 HG21 ' CB ' ' A' ' 20' ' ' GLU . 24.7 m -73.22 -63.99 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.575 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 40' ' ' TYR . 17.6 mt -47.94 -38.39 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.589 HD22 HD11 ' A' ' 49' ' ' ILE . 55.2 m-20 -60.18 -27.37 67.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.339 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -88.75 -40.89 12.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.79 -21.91 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.684 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -60.54 -20.01 58.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.3 -37.66 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 66.3 mtp -145.37 131.07 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.489 ' HZ3' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.56 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.1 m80 42.35 85.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 3' ' ' HIS . 15.9 p80 -77.67 72.17 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -96.35 163.75 12.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' H ' ' H ' ' A' ' 6' ' ' HIS . 10.1 t60 -166.25 -20.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.489 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' H ' ' H ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER 64.76 126.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.546 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.87 101.86 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -93.85 -70.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.555 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m 46.68 57.25 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.518 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.16 113.09 0.46 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.69 157.13 18.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 1.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.7 p -134.03 75.69 65.83 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.67 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -51.37 148.0 20.57 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.66 2.24 . . . . 1.0 112.164 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -169.7 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.19 1.89 43.82 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.901 -0.879 . . . . 1.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -95.4 14.03 23.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.57 -23.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.547 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.0 mm-40 -77.94 -69.62 0.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -51.29 -35.79 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.318 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 73' ' ' THR . 38.2 mt-10 -67.28 -41.68 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.168 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -42.5 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.91 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.48 -51.2 38.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.629 -0.508 . . . . 1.0 109.629 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.06 -46.04 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.564 -0.744 . . . . 1.0 110.789 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -78.58 -37.21 43.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.769 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 7.9 t0 -74.25 -15.99 60.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.664 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.6 t90 -93.55 -47.08 7.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 36' ' ' TYR . 6.3 mt -44.87 -32.74 1.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 29' ' ' ARG . 14.2 ptp180 -79.43 -27.88 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.424 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -78.68 -22.56 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CH2' ' A' ' 27' ' ' TRP . . . -81.69 -14.47 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.14 11.55 21.98 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 6.7 m-85 -131.0 75.85 77.88 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.0 110.555 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -81.23 -8.03 12.91 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.684 2.256 . . . . 1.0 112.314 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' OE1' ' N ' ' A' ' 36' ' ' TYR . 1.9 tm0? -64.54 -33.97 77.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.572 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 71' ' ' LEU . 62.4 m-85 -63.61 -67.82 0.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.586 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.17 -37.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.031 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -54.01 -43.03 69.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.935 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.4 mt -55.21 -31.78 61.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.79 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.618 ' CD1' HD22 ' A' ' 74' ' ' LEU . 39.2 t80 -55.01 -54.75 38.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 38' ' ' GLN . 3.8 mt-10 -42.2 -33.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.391 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -95.09 -19.92 19.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.522 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 78.12 22.44 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.39 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.03 29.86 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -62.08 -42.87 84.14 Favored Pre-proline 0 CA--C 1.517 -0.3 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.022 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.66 ' O ' HG23 ' A' ' 47' ' ' ILE . 19.8 Cg_exo -61.5 114.6 2.31 Favored 'Trans proline' 0 C--N 1.302 -1.889 0 C-N-CA 121.074 1.182 . . . . 1.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -166.12 -179.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.279 -0.873 . . . . 1.0 109.13 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -54.92 83.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.1 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 75' ' ' ASN . 39.7 mt -61.5 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.517 -178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' N ' HG22 ' A' ' 49' ' ' ILE . 6.8 t -31.16 -35.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.988 -0.551 . . . . 1.0 111.951 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -71.82 -65.23 0.79 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.395 0.517 . . . . 1.0 112.395 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' ASN . 1.2 m -36.76 -45.94 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.926 0.394 . . . . 1.0 110.638 -177.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 52' ' ' VAL . 2.2 mtmp? -59.74 -45.49 92.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.089 0.471 . . . . 1.0 110.137 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.688 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -77.85 -58.62 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.679 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -61.04 -59.59 5.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.881 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.517 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -70.59 7.73 1.02 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.882 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 55' ' ' ASP . 7.1 t70 -41.02 129.73 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 1.0 110.38 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.619 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -126.11 -78.41 0.59 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.675 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 63' ' ' LEU . 4.2 mt -80.41 -176.16 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 1.0 110.661 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.3 mp0 -54.13 -171.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.637 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 6.2 ttmm -77.45 -4.02 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.9 -41.69 70.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -88.98 8.97 26.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.465 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.53 -55.89 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.251 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -56.89 -47.96 98.17 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.131 -179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 37.7 Cg_exo -56.78 -38.65 95.28 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.025 1.817 . . . . 1.0 111.604 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.23 -44.37 83.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.477 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -66.41 -24.21 66.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.63 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -72.48 -41.09 66.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.588 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.544 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.6 mmt180 -76.13 -52.98 8.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.76 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 45' ' ' PHE . 15.8 mt -53.94 -50.68 65.91 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.239 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.665 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 49.9 t30 -56.27 -42.32 77.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.41 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 20' ' ' GLU . 55.8 m -65.06 -55.34 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.571 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 40' ' ' TYR . 9.5 mt -56.53 -45.07 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.676 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 49' ' ' ILE . 8.2 m-20 -51.53 -46.64 63.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 5.0 mttp -66.47 -25.88 66.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.321 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 0.0 OUTLIER -96.16 -9.56 30.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.759 -179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -78.43 -22.95 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.591 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.7 p -57.06 -36.2 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.469 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.421 ' O ' ' OXT' ' A' ' 81' ' ' LYS . 2.6 ttt 55.69 60.88 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.71 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' OXT' ' O ' ' A' ' 80' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.488 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -99.27 118.79 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.631 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.517 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -97.92 147.42 24.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.607 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.569 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -101.28 -76.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.48 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 54.32 107.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.598 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' HIS . 35.5 m80 -130.37 -28.01 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.438 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.7 OUTLIER 56.43 161.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -172.56 97.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -157.93 133.27 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.67 98.98 0.13 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.62 159.07 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 1.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.4 m -134.1 67.51 73.45 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.42 -88.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.771 2.314 . . . . 1.0 112.201 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -171.74 150.32 2.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.37 -78.94 0.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.05 11.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 1.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -21.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.27 -65.82 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.687 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.5 mt -53.72 -34.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 1.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 73' ' ' THR . 11.2 mm-40 -65.68 -39.42 91.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.982 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.26 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.745 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -53.96 -39.8 66.27 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.425 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.3 mm-40 -69.87 -51.29 34.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.412 -0.588 . . . . 1.0 109.412 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -40.84 -50.56 3.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.556 -0.747 . . . . 1.0 111.417 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -35.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.866 -0.334 . . . . 1.0 111.285 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.46 -14.74 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.986 0.422 . . . . 1.0 110.753 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' O ' ' A' ' 23' ' ' GLU . 84.0 t90 -93.82 -43.99 8.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 36' ' ' TYR . 12.3 mt -46.78 -21.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.201 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.39 -29.04 21.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.317 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -80.3 -10.74 59.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.048 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.84 -23.18 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.433 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.29 9.24 25.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.632 ' CE1' ' CG ' ' A' ' 58' ' ' PHE . 3.0 m-85 -127.82 67.81 73.98 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-O 120.803 0.335 . . . . 1.0 110.667 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.21 -11.03 19.4 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.494 2.13 . . . . 1.0 112.621 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -64.2 -8.49 12.65 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.641 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' CD2' ' OE1' ' A' ' 35' ' ' GLN . 37.6 m-85 -87.57 -67.41 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.291 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -36.59 -39.02 0.18 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -46.76 -44.13 18.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.334 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.1 mt -56.45 -28.98 61.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.817 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.634 ' CD1' HD22 ' A' ' 74' ' ' LEU . 51.5 t80 -52.13 -59.7 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -42.71 -33.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.372 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' SER . 4.1 t0 -90.78 -23.38 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 78.7 6.86 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.898 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.94 24.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 1.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -62.0 -42.62 83.06 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.397 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.735 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.19 114.46 2.34 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 121.06 1.173 . . . . 1.0 111.085 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -169.05 179.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.444 ' ND2' ' CB ' ' A' ' 51' ' ' ALA . 30.5 p-10 -63.11 94.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.102 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 72' ' ' ASN . 84.2 mt -54.39 -64.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.852 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 2.7 t -37.09 -44.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.26 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' CB ' ' ND2' ' A' ' 48' ' ' ASN . . . -59.59 -27.95 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.654 0.613 . . . . 1.0 112.654 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.72 -40.97 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.213 -0.595 . . . . 1.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -62.53 -36.1 81.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.037 0.446 . . . . 1.0 110.268 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.678 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -74.91 -58.35 3.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.487 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -37.54 -64.46 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.24 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -92.78 -65.37 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.737 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' CG ' ' A' ' 58' ' ' PHE . 3.7 t70 71.41 -49.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.093 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.632 ' CG ' ' CE1' ' A' ' 33' ' ' PHE . 7.9 m-85 75.16 135.76 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.821 0.344 . . . . 1.0 110.443 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -38.2 -68.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.145 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.08 95.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.93 0.395 . . . . 1.0 110.5 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' LEU . 25.6 tptt -67.5 -34.08 76.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -9.3 22.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD23 ' CE2' ' A' ' 33' ' ' PHE . 3.3 tp -101.12 -3.07 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.5 t -83.86 -37.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.057 0.456 . . . . 1.0 109.937 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 2.1 mm-40 -57.13 -63.86 3.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.325 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.8 Cg_endo -54.28 -32.54 71.84 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.961 1.774 . . . . 1.0 111.806 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.73 -41.28 77.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.477 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 65' ' ' GLU . 4.7 p -67.94 -28.83 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -46.42 69.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.517 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.5 mmt180 -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.768 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 71' ' ' LEU . 16.3 mt -42.33 -50.93 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 1.0 110.472 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.616 ' ND2' ' NZ ' ' A' ' 76' ' ' LYS . 18.4 t-20 -56.32 -37.09 69.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.556 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.706 HG21 ' HB3' ' A' ' 20' ' ' GLU . 25.4 m -71.44 -60.39 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD22 ' CD1' ' A' ' 40' ' ' TYR . 15.0 mt -54.09 -38.12 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -57.13 -25.12 58.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.376 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' NZ ' ' ND2' ' A' ' 72' ' ' ASN . 10.1 mtmm -92.51 -46.71 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.392 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -21.45 62.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.74 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -67.68 -2.17 6.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.657 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.2 p -88.12 8.63 25.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -80.95 0.28 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tptp . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.617 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.41 179.03 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.527 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER 50.23 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.603 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 5.1 t-80 -157.19 179.67 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.484 ' C ' ' H ' ' A' ' 7' ' ' HIS . 1.2 t-80 -69.14 -50.48 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.522 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' HIS . 0.6 OUTLIER 75.12 -25.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.62 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER 45.37 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.61 -160.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.68 176.62 9.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.535 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.97 40.0 2.65 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.7 123.08 46.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 1.0 110.627 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 12' ' ' VAL . 85.8 t -134.26 66.87 72.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.551 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.54 158.63 28.8 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.761 2.307 . . . . 1.0 112.174 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.9 153.46 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 8.85 87.47 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 42.1 t -101.78 11.06 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.1 -0.24 . . . . 1.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -41.01 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.494 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' SER . 7.3 mm-40 -69.05 -70.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.333 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -57.75 -30.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.25 -41.46 81.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.298 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.52 -58.29 8.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 12.5 mmmt -53.26 -46.13 69.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.54 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' TRP . 1.6 mm-40 -63.17 -51.53 66.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.664 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -43.42 -39.51 3.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.508 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -41.63 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.768 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.51 -15.63 63.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' GLU . 92.8 t90 -86.84 -40.49 14.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 24' ' ' ALA . 2.1 mm? -45.0 -38.4 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -70.77 -36.79 73.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.57 -7.99 52.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.571 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.65 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -91.49 -9.5 44.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.631 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.72 8.76 58.05 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.649 -0.98 . . . . 1.0 110.649 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 58' ' ' PHE . 8.0 m-85 -134.65 76.56 60.37 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -79.97 1.54 9.15 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.571 2.181 . . . . 1.0 112.515 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' OE1' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -74.78 -25.76 59.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.529 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 56' ' ' HIS . 5.5 m-85 -71.01 -67.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -36.44 -33.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 1.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -52.4 -43.12 64.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.54 179.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' TYR . 8.3 mp -54.18 -37.69 64.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.72 ' CE1' HD22 ' A' ' 74' ' ' LEU . 63.4 t80 -56.34 -61.45 2.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.328 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -46.48 -36.88 7.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.776 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -77.3 -18.99 57.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.527 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.9 OUTLIER 82.79 51.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.921 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.16 54.89 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 1.0 110.198 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.847 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.76 -40.86 0.26 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.098 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.803 ' O ' HG23 ' A' ' 47' ' ' ILE . 14.4 Cg_exo -65.19 114.21 2.74 Favored 'Trans proline' 0 C--N 1.302 -1.892 0 C-N-CA 120.982 1.122 . . . . 1.0 110.479 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.803 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -171.1 179.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.487 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -64.99 91.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.712 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 72' ' ' ASN . 95.4 mt -50.59 -11.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 1.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' N ' ' C ' ' A' ' 48' ' ' ASN . 3.5 t -80.0 -45.09 22.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . . . -64.18 -50.71 67.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.588 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -55.0 -67.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 -178.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -42.47 -29.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 1.0 110.68 -179.311 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -93.94 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.057 0.456 . . . . 1.0 110.315 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 52' ' ' VAL . 30.0 t0 -65.48 -67.77 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.616 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -58.14 -3.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.602 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 55' ' ' ASP . 10.5 t70 46.27 75.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.454 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE2' ' CD2' ' A' ' 33' ' ' PHE . 2.1 m-85 -75.51 169.2 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.84 -112.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.692 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 64' ' ' VAL . 3.7 pt-20 -41.08 148.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.696 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.656 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 4.7 tptp -85.91 -7.62 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.39 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -24.76 60.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.394 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.65 HD22 ' HB1' ' A' ' 31' ' ' ALA . 7.0 mt -97.58 -16.12 20.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.308 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG11 ' NZ ' ' A' ' 61' ' ' LYS . 59.1 t -82.75 -40.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.285 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.2 mt-10 -57.65 -64.46 2.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.489 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 9.6 Cg_endo -54.96 -34.32 86.06 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.052 1.834 . . . . 1.0 111.612 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -60.63 -37.6 82.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.15 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 69' ' ' ARG . 14.3 t -73.56 -17.49 61.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.653 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' NH1' ' SG ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -79.92 -38.59 32.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.811 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 17.1 mmt180 -74.07 -53.93 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.36 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.847 HD23 ' CE2' ' A' ' 45' ' ' PHE . 18.6 mt -51.07 -55.54 17.08 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.62 -0.432 . . . . 1.0 109.874 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.636 ' C ' ' HZ2' ' A' ' 76' ' ' LYS . 65.8 t30 -50.41 -40.95 51.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.179 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 ' HA ' ' HZ3' ' A' ' 76' ' ' LYS . 32.0 m -67.35 -62.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.517 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 40' ' ' TYR . 7.1 mt -51.82 -37.06 50.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.309 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.636 ' HZ2' ' C ' ' A' ' 72' ' ' ASN . 12.0 mttp -78.64 -18.6 54.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.319 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 -27.07 15.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.64 13.08 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 t -95.03 -28.74 14.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.95 43.56 2.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.485 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.559 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -138.02 -53.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -78.39 142.06 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -164.16 20.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.72 145.08 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.546 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -162.97 -65.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.8 m80 43.09 86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -63.68 162.31 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.45 128.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.597 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.81 64.72 0.13 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.99 150.78 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 1.0 110.571 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.96 75.53 66.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.627 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.48 140.08 45.09 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.675 2.25 . . . . 1.0 112.052 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -63.35 171.84 2.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.62 -82.59 0.27 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.73 4.37 4.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.715 0.293 . . . . 1.0 110.536 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.579 HE22 HG23 ' A' ' 73' ' ' THR . 13.5 mm-40 -50.05 -25.97 3.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.41 -69.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -44.72 -39.68 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.381 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 0.4 OUTLIER -64.7 -46.57 81.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.308 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.99 51.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.634 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.31 -47.89 71.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.931 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' TRP . 4.5 mm-40 -63.03 -50.87 68.97 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB3' HD13 ' A' ' 74' ' ' LEU . . . -42.67 -47.61 5.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.443 -0.798 . . . . 1.0 110.912 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -40.52 53.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.183 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 1.5 m-20 -75.57 -11.97 60.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 1.0 110.69 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' GLU . 88.2 t90 -93.07 -37.28 12.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.553 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.08 -26.29 64.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.448 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' CG ' HH11 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.09 -37.7 53.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.885 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.75 -5.61 59.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 -10.97 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.69 23.22 7.99 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.751 -0.94 . . . . 1.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 82.2 m-85 -131.48 74.4 78.47 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 1.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -81.55 -35.88 0.38 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.864 2.376 . . . . 1.0 112.651 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -34.84 77.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.849 0.357 . . . . 1.0 110.798 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CD1' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -60.53 -68.63 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.474 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.58 -41.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.015 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -46.8 -40.16 13.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.908 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.83 -31.78 68.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 57.6 t80 -52.94 -59.23 4.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.454 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 6.8 mt-10 -40.91 -43.02 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 43' ' ' SER . 28.1 t0 -79.15 -23.01 44.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.742 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 1.7 p 79.68 29.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.615 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.59 28.03 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.306 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.763 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -63.65 -42.52 72.85 Favored Pre-proline 0 CA--C 1.517 -0.289 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.073 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.7 Cg_exo -62.97 114.49 2.46 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 121.052 1.168 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -170.63 179.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.376 -0.829 . . . . 1.0 109.521 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' HG22 ' A' ' 52' ' ' VAL . 37.1 t-20 -56.3 83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 1.0 110.076 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.847 HD11 ' ND2' ' A' ' 75' ' ' ASN . 54.5 mt -61.66 -41.86 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.137 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 50' ' ' VAL . 3.2 t -54.5 -44.06 66.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.909 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.09 -64.63 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 53' ' ' LYS . 33.6 m -42.46 -51.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.526 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' N ' HG23 ' A' ' 52' ' ' VAL . 18.4 pttt -62.15 -46.97 86.6 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.605 -0.438 . . . . 1.0 110.761 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 1.3 m-80 -52.52 -50.27 63.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.771 -0.826 . . . . 1.0 108.771 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 57' ' ' ASP . 5.1 m-20 -65.32 -43.94 89.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.051 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -73.08 26.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.516 -0.311 . . . . 1.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 55' ' ' ASP . 5.2 m-20 -74.49 -2.94 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.926 0.393 . . . . 1.0 110.473 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -42.96 -22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.656 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.4 tp -91.69 -156.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.588 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -76.99 152.51 35.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.677 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -45.23 68.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.405 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -63.86 -7.89 9.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.312 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.19 -16.07 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.2 t -77.46 -40.29 28.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.145 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 mm-40 -53.18 -63.87 2.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 8.6 Cg_endo -53.21 -30.54 51.48 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.201 1.934 . . . . 1.0 111.964 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' CD2' ' A' ' 33' ' ' PHE . 1.2 tp -55.66 -46.93 77.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.186 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -19.68 65.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.626 HH21 ' CD ' ' A' ' 70' ' ' ARG . 19.5 ttp85 -75.42 -48.01 24.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.211 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.626 ' CD ' HH21 ' A' ' 69' ' ' ARG . 17.6 mmt-85 -70.1 -46.9 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.203 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' CE2' ' A' ' 45' ' ' PHE . 26.1 mt -55.54 -50.59 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.323 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.09 -36.74 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.335 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.579 HG23 HE22 ' A' ' 17' ' ' GLN . 25.4 m -67.83 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.395 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -44.3 -50.83 8.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.504 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.847 ' ND2' HD11 ' A' ' 49' ' ' ILE . 5.1 m-20 -46.65 -56.9 5.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.512 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -57.08 -22.81 42.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.423 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.1 m -93.25 -25.26 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 10.39 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 t -98.49 1.91 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 51.5 mtt 43.16 -100.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.556 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 12.0 ttt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 1' ' ' MET . 79.4 m80 -158.41 -117.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -107.16 148.09 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.647 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 m170 57.58 -142.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.527 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.46 -68.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.561 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.69 ' CD2' ' H ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -144.26 -114.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.582 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.576 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 1.6 m-70 -81.15 -36.27 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.69 ' H ' ' CD2' ' A' ' 6' ' ' HIS . 2.5 p 73.39 40.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.537 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m 45.66 -139.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.58 77.14 0.04 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.85 140.54 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.723 0.297 . . . . 1.0 110.55 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.15 156.49 79.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.402 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' O ' ' OG ' ' A' ' 16' ' ' SER . 42.6 Cg_endo -70.09 -167.64 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.403 2.069 . . . . 1.0 112.072 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' SER . 1.0 OUTLIER 57.17 171.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.577 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.64 85.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.1 m -101.99 10.47 39.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.683 0.278 . . . . 1.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' A' ' 73' ' ' THR . 38.9 tp60 -41.72 -31.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.462 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.84 -70.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.469 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -53.79 -35.57 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.987 0.422 . . . . 1.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -63.83 -45.62 88.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.404 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.19 -57.5 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.696 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -41.59 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.801 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.5 mm-40 -63.16 -51.93 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.061 -0.718 . . . . 1.0 109.061 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -44.84 -49.22 10.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -79.45 -43.66 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.301 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.508 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 31.7 t0 -68.11 -19.01 64.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.0 110.658 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' GLU . 70.6 t90 -86.85 -36.63 18.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.069 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 36' ' ' TYR . 8.1 mt -52.06 -62.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.996 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -53.72 -33.99 57.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.403 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -15.73 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.393 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 63' ' ' LEU . . . -87.84 -13.62 41.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 108.91 18.01 9.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CB ' HE22 ' A' ' 35' ' ' GLN . 5.2 m-85 -142.75 79.21 15.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 1.0 110.509 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.51 -11.97 11.51 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.554 2.169 . . . . 1.0 112.777 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.681 HE21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -72.0 -6.11 39.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.688 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.681 ' N ' HE21 ' A' ' 35' ' ' GLN . 4.6 m-85 -86.63 -68.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.484 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.06 -31.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 1.0 110.414 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -50.95 -37.72 46.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.513 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.81 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.704 ' CE1' HD22 ' A' ' 74' ' ' LEU . 57.3 t80 -59.06 -63.43 1.31 Allowed 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.828 -0.349 . . . . 1.0 110.28 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.84 -37.21 8.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.781 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 m-20 -75.82 -18.87 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 81.04 48.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.662 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -145.55 56.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.162 0.506 . . . . 1.0 110.179 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -93.84 -44.08 0.31 Allowed Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.483 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 47' ' ' ILE . 16.0 Cg_exo -63.07 113.41 2.01 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 120.93 1.086 . . . . 1.0 110.808 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -161.93 179.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.194 -0.912 . . . . 1.0 109.87 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -63.64 92.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.617 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 49' ' ' ILE . 97.8 mt -52.42 -7.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.983 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 48' ' ' ASN . 23.3 t -86.48 -43.96 16.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . . . -66.62 -54.84 19.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.371 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -46.66 -68.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.66 -179.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' H ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -42.58 -26.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.902 -0.319 . . . . 1.0 110.528 -179.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' VAL . 4.3 t-20 -94.34 -24.6 17.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.347 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 52' ' ' VAL . 10.2 t70 -68.23 -57.39 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.756 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -73.4 27.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.751 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' A' ' 55' ' ' ASP . 2.6 t70 79.92 -150.88 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.463 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -149.0 -3.29 0.44 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.067 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' PHE . 2.2 pp -38.59 139.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.905 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 64' ' ' VAL . 70.7 mt-10 55.98 102.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.211 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -75.48 -31.18 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.562 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -16.62 63.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.119 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' A' ' 31' ' ' ALA . 3.9 mt -99.17 -27.03 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 t -72.69 -39.68 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.25 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -54.86 -63.02 3.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.513 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.9 Cg_endo -57.61 -30.26 88.06 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.992 1.795 . . . . 1.0 111.92 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -41.7 84.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.12 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -74.02 -17.78 60.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.306 179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.614 HH22 ' CZ ' ' A' ' 70' ' ' ARG . 3.5 ttp-105 -79.19 -39.44 33.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.658 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.614 ' CZ ' HH22 ' A' ' 69' ' ' ARG . 14.1 mmt180 -77.74 -49.21 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.759 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 45' ' ' PHE . 90.2 mt -50.39 -47.63 56.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.226 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.4 -32.87 73.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.566 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.455 HG22 ' NE2' ' A' ' 17' ' ' GLN . 14.7 m -65.1 -57.75 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.149 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' CE1' ' A' ' 40' ' ' TYR . 8.7 mt -62.59 -49.23 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -41.84 -27.51 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.402 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.22 -33.5 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.617 -179.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 74' ' ' LEU . 46.0 t -88.29 -10.96 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.632 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -72.91 -5.47 38.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.553 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -49.99 -39.61 41.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.612 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.43 -90.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' OXT' ' O ' ' A' ' 77' ' ' CYS . 15.0 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.561 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 43.81 71.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.584 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -98.92 147.89 24.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.578 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -142.03 173.34 11.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.46 104.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.93 -58.67 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.651 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.599 ' CD2' ' H ' ' A' ' 8' ' ' SER . 7.2 t60 -163.25 -166.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.491 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.599 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -90.89 -162.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.538 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -95.16 154.63 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.45 -152.41 21.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 1.0 110.558 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 12' ' ' VAL . 61.9 t -134.17 69.94 73.93 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.642 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.82 96.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.709 2.272 . . . . 1.0 112.021 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -175.22 78.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.81 89.21 0.55 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.49 14.0 10.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 1.0 110.476 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 73' ' ' THR . 3.2 mm-40 -49.63 -40.57 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -49.71 -70.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 19' ' ' ILE . 3.3 mp -43.31 -40.18 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.98 0.419 . . . . 1.0 110.068 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -45.77 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.057 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 74' ' ' LEU . . . -49.65 -52.18 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.711 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' A' ' 22' ' ' LYS . 11.7 mmmt -60.43 -37.89 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.889 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 27' ' ' TRP . 62.0 mt-10 -73.99 -60.28 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -42.95 -39.96 2.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.632 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -83.29 -40.58 19.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.211 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.583 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 37.6 t70 -78.15 -10.27 59.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.048 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.542 ' N ' ' O ' ' A' ' 23' ' ' GLU . 91.7 t90 -92.62 -45.68 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.646 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' PHE . 19.7 mt -50.74 -27.8 7.9 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.087 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -83.39 -29.89 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.81 -4.8 56.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' HB2' ' CE2' ' A' ' 27' ' ' TRP . . . -102.72 -9.76 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' O ' ' CD2' ' A' ' 58' ' ' PHE . . . 106.41 24.06 6.96 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 28' ' ' LEU . 24.7 m-85 -135.33 63.91 57.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 1.0 110.17 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.23 -35.83 3.7 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.545 2.163 . . . . 1.0 112.558 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' C ' ' A' ' 35' ' ' GLN . 1.2 pp0? -67.37 -6.14 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.794 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' LEU . 7.9 m-85 -86.34 -66.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.851 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -38.5 -41.16 0.64 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.376 . . . . 1.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 4.8 mm-40 -44.71 -43.25 8.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.857 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' TYR . 97.9 mt -50.7 -35.65 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.285 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.692 ' CE1' HD22 ' A' ' 74' ' ' LEU . 52.4 t80 -59.52 -63.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.135 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE1' ' NE2' ' A' ' 38' ' ' GLN . 11.3 mt-10 -41.78 -43.33 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.688 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -74.63 -22.02 59.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.965 -179.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 81.85 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.775 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -122.63 23.59 9.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.673 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.652 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -64.33 -52.5 53.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 1.0 112.339 -179.438 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 47' ' ' ILE . 12.2 Cg_endo -63.09 115.11 2.76 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 CA-C-N 119.727 0.938 . . . . 1.0 110.821 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -168.6 179.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.112 -0.949 . . . . 1.0 109.603 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 51' ' ' ALA . 1.7 m-20 -57.29 92.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.508 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 49' ' ' ILE . 96.5 mt -58.96 -8.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 1.0 110.373 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.426 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -93.49 -47.54 13.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.209 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' H ' ' HB3' ' A' ' 48' ' ' ASN . . . -57.15 -33.46 67.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.411 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 53' ' ' LYS . 27.1 m -64.04 -54.22 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.954 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' N ' HG23 ' A' ' 52' ' ' VAL . 17.5 mttm -42.76 -34.02 0.85 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.581 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' VAL . 7.5 m-80 -91.83 -19.86 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' VAL . 25.9 t0 -68.51 -68.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.497 ' C ' ' H ' ' A' ' 58' ' ' PHE . 2.2 m80 -106.46 -67.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.784 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER 61.73 -2.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.712 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' H ' ' C ' ' A' ' 56' ' ' HIS . 23.8 m-85 41.78 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.619 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 3.3 mt -148.87 173.95 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.57 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' LEU . 3.3 tt0 59.73 124.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.594 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.55 -32.57 53.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -63.66 -9.0 11.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.208 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -93.18 -11.65 32.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.243 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.09 -36.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.371 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.1 mt-10 -59.06 -63.92 3.59 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.356 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 11.7 Cg_endo -56.76 -36.18 98.36 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.132 1.888 . . . . 1.0 111.572 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 71' ' ' LEU . 34.1 tp -53.4 -36.04 61.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -77.62 -20.42 53.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.257 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -77.94 -58.64 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.6 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.506 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 20.0 mmt180 -51.23 -60.61 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 45' ' ' PHE . 86.2 mt -50.53 -47.07 57.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.687 -0.405 . . . . 1.0 109.971 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.44 -32.5 68.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.925 0.393 . . . . 1.0 110.079 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 5.2 m -70.71 -61.17 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.567 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.692 HD22 ' CE1' ' A' ' 40' ' ' TYR . 11.2 mt -61.51 -47.48 85.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.525 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 49' ' ' ILE . 95.1 m-20 -46.03 -21.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 1.0 110.101 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -92.79 -27.51 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.424 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 74' ' ' LEU . 44.3 t -95.21 -12.47 26.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.629 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -88.14 -21.41 24.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.32 -47.54 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.624 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.55 102.54 15.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 tttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.541 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 3' ' ' HIS . 33.5 mtm . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -77.02 34.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 1' ' ' MET . 1.8 t60 -100.58 133.01 45.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.513 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -137.6 100.48 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -78.1 162.46 26.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.691 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -56.94 117.24 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -113.57 -52.23 2.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.536 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.84 160.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.583 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.28 142.13 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.617 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 -158.56 30.97 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -163.07 113.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.756 0.312 . . . . 1.0 110.602 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.07 156.95 78.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -38.36 157.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.346 2.031 . . . . 1.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -168.27 114.58 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.83 21.28 45.75 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -96.72 13.34 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 1.0 110.602 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.19 -24.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.653 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 24.2 mp0 -73.05 -70.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 19' ' ' ILE . 1.7 mp -58.05 -30.55 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.344 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 -35.4 78.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 1.0 109.964 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -62.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.656 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -50.17 -40.28 46.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' TRP . 15.8 mm-40 -70.92 -51.33 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 70' ' ' ARG . . . -39.43 -48.36 1.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.24 -36.22 54.75 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.871 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.69 -13.37 60.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 1.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.6 t90 -91.81 -42.71 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 36' ' ' TYR . 13.2 mt -49.35 -61.06 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.0 109.974 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' NH1' ' SG ' ' A' ' 25' ' ' CYS . 4.6 ptp85 -56.89 -30.35 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.226 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -27.78 47.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.362 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -75.44 -31.26 60.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.34 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 127.44 18.58 2.0 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.043 -0.823 . . . . 1.0 111.043 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 1.6 m-85 -137.9 73.49 46.19 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 1.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -71.79 -14.38 29.81 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.671 2.248 . . . . 1.0 112.51 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.509 HE21 ' CA ' ' A' ' 36' ' ' TYR . 1.6 pp0? -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.951 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.689 ' CD1' HD21 ' A' ' 71' ' ' LEU . 8.9 m-85 -69.79 -68.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.384 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.93 -37.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -49.73 -39.15 36.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.92 -29.69 70.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.983 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 43' ' ' SER . 55.3 t80 -56.01 -59.44 4.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.737 0.303 . . . . 1.0 110.288 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.29 -34.08 1.12 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.308 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 43' ' ' SER . 1.4 t0 -84.52 -25.63 28.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 80.74 23.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.72 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.47 4.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.339 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -66.05 -41.2 43.09 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.556 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 45' ' ' PHE . 25.9 Cg_exo -58.0 115.08 2.27 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 C-N-CA 120.956 1.104 . . . . 1.0 110.867 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -160.26 179.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.35 -0.841 . . . . 1.0 109.732 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -67.67 94.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.13 179.412 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.46 HD11 HD22 ' A' ' 72' ' ' ASN . 96.3 mt -55.33 -46.58 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.046 0.451 . . . . 1.0 110.728 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 50' ' ' VAL . 11.6 t -52.18 -46.35 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.83 -67.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 53' ' ' LYS . 34.3 m -38.62 -53.69 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 111.887 0.328 . . . . 1.0 111.887 -177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.609 ' N ' HG23 ' A' ' 52' ' ' VAL . 14.2 pttt -61.0 -44.92 96.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.728 -0.389 . . . . 1.0 111.214 -179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' N ' ' CG ' ' A' ' 53' ' ' LYS . 58.8 m-20 -63.76 -50.65 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.176 -0.675 . . . . 1.0 109.176 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 57' ' ' ASP . 3.2 t0 -66.3 -64.79 0.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.48 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.521 ' O ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 m-70 -63.82 2.99 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.639 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.0 t70 -39.53 129.26 1.91 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 110.358 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CE2' ' O ' ' A' ' 56' ' ' HIS . 63.8 m-85 -122.07 -99.18 0.43 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.8 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 60' ' ' GLU . 4.0 mm? -60.04 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.549 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 64' ' ' VAL . 2.6 mt-10 -54.33 -165.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.744 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' NZ ' HG11 ' A' ' 64' ' ' VAL . 9.7 tptp -86.0 -5.71 59.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -78.63 -33.7 47.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.88 -2.29 56.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.631 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 60' ' ' GLU . 94.2 t -90.46 -39.89 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mm-40 -59.54 -50.01 89.29 Favored Pre-proline 0 C--N 1.332 -0.169 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.892 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 24.2 Cg_exo -57.65 -37.71 95.9 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.854 1.703 . . . . 1.0 111.15 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.4 -43.13 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.481 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -19.78 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.319 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.1 -46.64 16.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.487 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.512 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 21.1 mmt-85 -69.24 -24.47 64.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.664 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 36' ' ' TYR . 21.7 mt -80.89 -47.19 14.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.068 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.46 HD22 HD11 ' A' ' 49' ' ' ILE . 5.7 t-20 -60.04 -20.63 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.077 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.1 m -77.08 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.254 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -57.33 -43.33 83.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -49.71 -24.72 2.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.366 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.3 -38.32 11.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.814 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 13.0 t -83.88 -10.61 57.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.28 -16.93 59.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 80' ' ' MET . 0.1 OUTLIER -85.9 2.87 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.676 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' SER . 12.3 mtp 57.32 157.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.473 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -95.07 111.42 23.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -101.01 -53.16 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.62 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 t60 53.36 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -137.53 174.03 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.7 130.51 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -101.37 174.99 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.2 p -168.28 171.22 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.68 171.85 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.06 105.44 0.19 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -131.46 146.68 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.786 0.327 . . . . 1.0 110.542 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.1 66.79 72.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.639 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -78.25 155.2 28.97 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.745 2.297 . . . . 1.0 112.17 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -95.01 161.94 13.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.81 30.0 2.19 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.02 13.15 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.62 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.883 ' NE2' HG23 ' A' ' 73' ' ' THR . 41.4 tp60 -41.45 -25.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' SER . 11.8 mm-40 -77.03 -68.07 0.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 19' ' ' ILE . 10.9 mt -51.97 -15.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HB3' HG21 ' A' ' 73' ' ' THR . 40.1 mt-10 -73.09 -28.76 62.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.297 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -65.34 0.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -39.92 38.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.639 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 27' ' ' TRP . 8.8 mm-40 -72.9 -52.57 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.816 -0.439 . . . . 1.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.04 -48.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.73 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.583 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -76.23 -35.28 59.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.948 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 2.2 t70 -74.98 -14.87 60.67 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' GLU . 87.5 t90 -93.02 -43.7 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 mt -52.86 -33.81 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.504 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 10.4 ptp180 -79.52 -29.84 41.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.323 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.95 -25.19 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.306 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.651 ' O ' HD21 ' A' ' 63' ' ' LEU . . . -79.36 -14.5 58.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.511 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.92 2.57 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -149.65 68.84 9.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.377 . . . . 1.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -80.07 -1.07 11.14 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.838 2.359 . . . . 1.0 112.411 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.626 ' NE2' ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -87.48 -10.02 52.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.541 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' N ' ' NE2' ' A' ' 35' ' ' GLN . 0.2 OUTLIER -83.33 -66.41 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.53 -34.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.658 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.578 HE21 ' CA ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -52.97 -41.72 64.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.423 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' TYR . 7.4 mt -56.47 -38.53 71.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.63 ' CD1' HD22 ' A' ' 74' ' ' LEU . 74.9 t80 -45.68 -54.66 7.48 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.656 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -44.35 -30.31 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.648 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 43' ' ' SER . 0.8 OUTLIER -94.05 -18.42 21.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.593 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.5 OUTLIER 79.36 14.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.707 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -90.03 26.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.382 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.81 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -67.75 -39.42 18.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.406 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.651 ' O ' HG23 ' A' ' 47' ' ' ILE . 8.0 Cg_exo -68.34 114.89 3.6 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 121.049 1.166 . . . . 1.0 111.289 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 46' ' ' PRO . 4.0 pt -164.53 179.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.467 -0.788 . . . . 1.0 109.267 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.62 96.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.348 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.48 -37.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.999 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.22 -47.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.912 -0.585 . . . . 1.0 112.09 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.31 61.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.495 0.664 . . . . 1.0 110.372 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -49.09 -60.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.78 -1.1 . . . . 1.0 110.915 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.587 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.63 -25.01 2.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.819 0.343 . . . . 1.0 110.424 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -93.53 -15.7 25.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.243 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 57' ' ' ASP . 43.2 m-20 -97.29 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.553 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.458 ' CD2' ' CE2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER -51.35 -9.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 55' ' ' ASP . 11.4 t0 54.92 84.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CG ' HG22 ' A' ' 64' ' ' VAL . 42.1 p90 -55.17 152.46 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.73 -67.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.1 36.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -49.48 49.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.464 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -3.84 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.229 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 31' ' ' ALA . 3.0 tp -100.25 2.23 42.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.649 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 58' ' ' PHE . 77.4 t -88.69 -45.44 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.8 mt-10 -57.03 -64.23 2.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.938 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 10.9 Cg_endo -55.67 -38.13 94.6 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.273 1.982 . . . . 1.0 112.414 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.52 -47.63 84.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 1.0 110.322 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -17.48 61.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.545 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -80.77 -49.62 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.592 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -66.06 -51.77 55.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' CE2' ' A' ' 45' ' ' PHE . 25.5 mt -49.62 -42.29 44.5 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.556 -0.457 . . . . 1.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -42.97 76.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.32 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.883 HG23 ' NE2' ' A' ' 17' ' ' GLN . 28.7 m -62.02 -63.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.428 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.63 HD22 ' CD1' ' A' ' 40' ' ' TYR . 13.6 mt -52.89 -43.13 65.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.266 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -50.95 -26.01 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.397 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.508 ' NZ ' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -93.2 -33.67 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.491 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.556 ' SG ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -86.94 -8.72 56.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.618 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -65.03 -19.04 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.85 -15.86 60.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.5 mtt 48.7 -130.47 1.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.6 mptt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.553 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER -138.18 -162.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.602 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.22 100.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.581 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.11 -166.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 50.25 84.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.537 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.577 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.25 32.78 12.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.454 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 132.27 53.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.632 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.99 125.59 54.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.541 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.83 51.54 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mp -99.22 115.58 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 1.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.4 m -134.29 66.77 71.73 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -79.0 162.68 26.13 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.748 2.299 . . . . 1.0 112.165 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.46 151.55 32.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.48 -47.63 1.43 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.74 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.717 0.294 . . . . 1.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.42 -19.9 0.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.478 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.13 -64.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.07 -26.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.149 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.587 ' HB3' HG21 ' A' ' 73' ' ' THR . 36.2 mt-10 -66.29 -31.0 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.157 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -64.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.604 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.28 -36.33 41.79 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.315 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 27' ' ' TRP . 22.8 mm-40 -73.53 -53.1 11.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 1.0 109.427 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -38.6 -50.86 1.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.723 -0.672 . . . . 1.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -73.65 -35.3 65.25 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.176 -179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.497 ' N ' ' SG ' ' A' ' 25' ' ' CYS . 15.3 t0 -78.35 -14.21 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 1.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.549 ' N ' ' O ' ' A' ' 23' ' ' GLU . 89.1 t90 -93.1 -52.8 4.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD22 ' CD2' ' A' ' 36' ' ' TYR . 17.7 mt -44.75 -26.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 109.826 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 25' ' ' CYS . 7.9 mtm180 -78.36 -33.49 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.6 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . -89.06 -4.79 58.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.517 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.49 -13.49 29.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.9 13.05 47.92 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -136.0 73.02 60.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.758 0.313 . . . . 1.0 110.51 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.19 -7.48 14.07 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.614 2.21 . . . . 1.0 112.151 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -63.69 -17.74 63.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.585 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' A' ' 35' ' ' GLN . 51.2 m-85 -77.44 -67.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.633 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' TYR . . . -35.89 -39.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.74 -43.47 37.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.475 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' TYR . 11.2 mt -58.03 -29.45 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.03 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 43' ' ' SER . 42.3 t80 -55.57 -58.8 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.742 0.305 . . . . 1.0 110.36 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -42.04 -36.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.445 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.1 t0 -87.95 -22.84 24.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER 79.0 22.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.616 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -100.16 28.14 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' CE2' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -64.46 -40.99 55.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.171 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.744 ' O ' HG23 ' A' ' 47' ' ' ILE . 13.9 Cg_exo -64.25 114.73 2.79 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 121.047 1.164 . . . . 1.0 111.389 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 46' ' ' PRO . 1.3 pt -169.85 179.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.147 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.48 95.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 1.0 109.968 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.94 -56.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.129 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 2.0 p -48.76 -43.59 14.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 1.0 112.186 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -74.5 -22.47 59.05 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.104 0.478 . . . . 1.0 110.755 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 53' ' ' LYS . 1.2 t -71.95 -49.87 41.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.073 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -56.82 -30.66 63.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 1.0 110.686 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -90.54 -47.39 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.749 -0.659 . . . . 1.0 110.595 -179.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 21.4 t70 -64.71 -66.93 0.48 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.61 . . . . 1.0 111.309 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.479 ' C ' ' H ' ' A' ' 58' ' ' PHE . 8.2 m-70 -64.23 -73.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.631 -178.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' A' ' 59' ' ' LEU . 3.3 m-20 -69.71 36.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.642 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 35.93 -87.81 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.249 0.343 . . . . 1.0 111.196 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 57' ' ' ASP . 1.2 mt -162.88 111.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.408 . . . . 1.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' O ' ' N ' ' A' ' 62' ' ' ASP . 5.9 mt-10 -145.45 64.33 1.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.692 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.39 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.395 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.569 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -85.47 -49.8 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 1.0 110.533 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -86.86 -0.88 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.841 -179.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 60' ' ' GLU . 2.7 t -89.63 -28.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' OE1' ' NH2' ' A' ' 69' ' ' ARG . 5.0 mm-40 -59.03 -63.5 4.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -60.74 -38.14 73.31 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.128 1.885 . . . . 1.0 111.978 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.96 -46.6 78.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.724 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -24.65 67.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' OE1' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -71.38 -45.33 63.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.619 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' THR . 29.4 mmt-85 -64.76 -65.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CE2' ' A' ' 45' ' ' PHE . 13.3 mt -44.31 -47.5 9.53 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.079 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -55.42 -33.08 63.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.417 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 20' ' ' GLU . 10.3 m -70.35 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.465 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.2 mp -54.06 -52.16 61.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -41.97 -25.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.456 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -93.61 -38.36 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.006 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 t -83.62 -10.88 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.056 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -77.93 -1.84 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.644 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m -80.56 -37.13 31.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 mtt 42.46 79.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.503 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.669 179.992 . . . . . . . . 0 0 . 1 stop_ save_